# 
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag 
# 
data_cor-ce 
_shelx_title '  cordylite-(Ce)' 
_shelx_refln_list_code          4 
_shelx_F_calc_maximum      248.62 
_exptl_crystal_F_000       622.90 
_reflns_d_resolution_high  0.7709 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 'x-y, x, z+1/2' 
 '-y, x-y, z' 
 '-x, -y, z+1/2' 
 '-x+y, -x, z' 
 'y, -x+y, z+1/2' 
 '-x+y, y, z' 
 'y, x, z+1/2' 
 'x, x-y, z' 
 'x-y, -y, z+1/2' 
 '-y, -x, z' 
 '-x, -x+y, z+1/2' 
 '-x, -y, -z' 
 '-x+y, -x, -z-1/2' 
 'y, -x+y, -z' 
 'x, y, -z-1/2' 
 'x-y, x, -z' 
 '-y, x-y, -z-1/2' 
 'x-y, -y, -z' 
 '-y, -x, -z-1/2' 
 '-x, -x+y, -z' 
 '-x+y, y, -z-1/2' 
 'y, x, -z' 
 'x, x-y, -z-1/2' 
 
_cell_length_a     5.1196 
_cell_length_b     5.1196 
_cell_length_c    23.1784 
_cell_angle_alpha  90.000 
_cell_angle_beta   90.000 
_cell_angle_gamma 120.000 
 
_shelx_F_squared_multiplier     1.000 
 
loop_ 
 _refln_index_h 
 _refln_index_k 
 _refln_index_l 
 _refln_F_squared_calc 
 _refln_F_squared_meas 
 _refln_F_squared_sigma 
 _refln_observed_status 
   0   1   0       32.14      138.06     43.09 o 
   0   2   0      451.68      577.49     19.96 o 
  -1   3   0      592.49      611.60      8.86 o 
   0   3   0    39838.06    40200.96    381.15 o 
  -2   4   0    61809.57    60224.40    482.41 o 
  -1   4   0        6.35       31.54      5.69 o 
   0   4   0       14.33       68.77     25.59 o 
  -2   5   0       51.60       76.10     14.55 o 
  -1   5   0    21798.22    22879.54    198.42 o 
   0   5   0      273.40      287.54     25.81 o 
  -3   6   0    18113.55    18541.90    185.10 o 
  -2   6   0        1.49       26.66     22.72 o 
  -1   6   0       43.35       62.77     19.16 o 
   0   1   1     8355.25     8939.53     53.98 o 
   0   2   1    18498.57    19888.49    120.72 o 
  -1   3   1     5050.33     5163.59     37.48 o 
   0   3   1      663.94      681.65     15.97 o 
  -1   4   1     4256.99     4158.70     24.32 o 
   0   4   1     5729.15     5650.17     38.07 o 
  -2   5   1     2874.51     2757.08     23.11 o 
  -1   5   1      139.84      172.13      7.67 o 
   0   5   1     1948.88     1955.42     24.09 o 
  -2   6   1     2978.06     3042.46     28.58 o 
  -1   6   1     2138.22     2094.13     22.86 o 
   0   1   2     7673.84     7981.94     42.14 o 
  -1   2   2      120.65      142.99      9.21 o 
   0   2   2    23942.75    24513.57    123.39 o 
  -1   3   2     7178.12     7228.30     38.58 o 
   0   3   2      214.84      196.19      6.28 o 
  -2   4   2      235.08      258.85     30.63 o 
  -1   4   2     4055.89     3888.23     22.13 o 
   0   4   2     6501.23     6358.23     43.38 o 
  -2   5   2     1987.50     1925.23     16.91 o 
  -1   5   2      171.63      172.45      6.48 o 
   0   5   2     2501.35     2518.13     27.58 o 
  -3   6   2      114.34      120.42     16.95 o 
  -2   6   2     2681.67     2728.93     27.56 o 
  -1   6   2     1977.06     2046.54     22.38 o 
   0   1   3     2047.02     2065.69     16.84 o 
   0   2   3     1755.46     1602.38     19.28 o 
  -1   3   3     4062.73     3968.69     40.74 o 
   0   3   3      188.64      195.45      6.31 o 
  -1   4   3     1175.61     1114.53     11.09 o 
   0   4   3     1033.16     1071.97     21.50 o 
  -2   5   3      429.85      442.46     11.11 o 
  -1   5   3       44.64       46.14      4.87 o 
   0   5   3     1770.22     1733.01     25.02 o 
  -2   6   3      644.66      644.70     14.52 o 
  -1   6   3      819.31      860.90     15.97 o 
   0   0   4     3417.83     3898.76     57.31 o 
   0   1   4    20988.34    20897.49     81.03 o 
  -1   2   4      556.05      577.18      5.67 o 
   0   2   4    17313.79    17815.23     86.22 o 
  -1   3   4    13654.07    14175.26     54.33 o 
   0   3   4      629.64      635.65      8.97 o 
  -2   4   4     1338.61     1269.14     16.05 o 
  -1   4   4     8834.96     8845.52     44.21 o 
   0   4   4     7950.25     7733.88     47.47 o 
  -2   5   4     6062.59     5774.13     36.52 o 
  -1   5   4      727.68      701.38      8.75 o 
   0   5   4     5350.40     5382.25     52.00 o 
  -3   6   4      737.47      711.69     20.68 o 
  -2   6   4     4420.58     4431.11     33.65 o 
  -1   6   4     3964.83     4001.13     31.90 o 
   0   1   5    29821.65    28303.94    131.36 o 
   0   2   5    29453.64    29590.85    122.72 o 
  -1   3   5    10381.28    10694.03     39.67 o 
   0   3   5       10.91       35.66      8.80 o 
  -1   4   5    11549.11    11845.06     52.76 o 
   0   4   5    11077.95    11263.66     65.85 o 
  -2   5   5    10018.72     9718.26     53.80 o 
  -1   5   5        3.80       11.08      8.24 o 
   0   5   5     3404.61     3476.85     36.77 o 
  -2   6   5     5820.44     5933.49     41.10 o 
  -1   6   5     4076.65     4138.34     33.04 o 
   0   0   6    37745.04    33862.96    464.16 o 
   0   1   6    11786.03    12146.87     52.92 o 
  -1   2   6    24009.42    24319.43    101.39 o 
   0   2   6       28.60       71.55      3.82 o 
  -1   3   6     2092.53     1934.90     10.55 o 
   0   3   6    15537.54    16213.73     87.00 o 
  -2   4   6    14936.69    15878.31    110.94 o 
  -1   4   6     1612.98     1493.59     11.19 o 
   0   4   6       61.62      108.44      8.85 o 
  -2   5   6     1842.34     1789.10     19.06 o 
  -1   5   6     9008.63     8741.05     42.85 o 
   0   5   6      290.83      280.03     11.96 o 
  -3   6   6     7329.19     7332.84     74.91 o 
  -2   6   6      102.81      113.85     12.57 o 
  -1   6   6      159.93      193.94     12.39 o 
   0   1   7       11.25       40.27      7.28 o 
   0   2   7     3291.95     3237.57     22.01 o 
  -1   3   7       13.96       25.46      3.10 o 
   0   3   7      498.56      498.50      8.98 o 
  -1   4   7      142.98      152.72      6.52 o 
   0   4   7      671.96      658.98     11.11 o 
  -2   5   7       77.11       79.21      9.03 o 
  -1   5   7      115.84      109.17      7.27 o 
   0   5   7        1.22       25.17     13.25 o 
  -2   6   7      253.57      285.87     10.40 o 
  -1   6   7       78.93       79.40     13.38 o 
   0   0   8     3272.46     2762.97     49.40 o 
   0   1   8      486.60      461.49      5.67 o 
  -1   2   8    34739.73    34671.33    128.80 o 
   0   2   8       26.42       49.82      3.43 o 
  -1   3   8     1099.94      984.69      6.95 o 
   0   3   8    20986.10    21689.93    113.11 o 
  -2   4   8     5569.07     5393.15     52.86 o 
  -1   4   8      238.22      213.21      5.27 o 
   0   4   8       59.10       83.12      7.24 o 
  -2   5   8       42.57       51.38      5.36 o 
  -1   5   8     8301.95     8249.57     39.04 o 
   0   5   8      524.42      513.67     14.23 o 
  -3   6   8     5144.50     5274.42     60.03 o 
  -2   6   8       52.61       57.34      8.99 o 
   0   1   9    18614.87    19484.33     81.68 o 
   0   2   9     7745.58     8152.10     41.33 o 
  -1   3   9     9678.08    10139.01     37.82 o 
   0   3   9      284.95      283.80      7.23 o 
  -1   4   9     6936.97     6759.74     40.60 o 
   0   4   9     4638.02     4482.59     33.39 o 
  -2   5   9     5720.18     5650.08     66.69 o 
  -1   5   9       73.62      107.13     11.34 o 
   0   5   9     3901.44     3916.05     39.61 o 
  -2   6   9     2928.90     3047.90     65.91 o 
   0   0  10    17591.65    17973.97    224.17 o 
   0   1  10    33345.89    32823.88    129.81 o 
  -1   2  10     6821.37     7056.80     34.52 o 
   0   2  10    14930.92    15527.68     71.25 o 
  -1   3  10    18192.96    19093.06     62.55 o 
   0   3  10     4122.72     3983.00     33.84 o 
  -2   4  10     4863.59     4649.98     28.75 o 
  -1   4  10    12022.72    12217.21     72.59 o 
   0   4  10     7932.03     7877.50     61.87 o 
  -2   5  10     9014.71     8838.77     43.64 o 
  -1   5  10     2276.46     2239.59     15.22 o 
   0   5  10     6360.37     6401.02     54.79 o 
  -3   6  10     1836.25     1847.24     27.91 o 
  -2   6  10     4702.48     4848.68     54.94 o 
   0   1  11     1884.56     1778.51     12.77 o 
   0   2  11     3550.69     3295.83     20.68 o 
  -1   3  11     2652.93     2526.02     14.95 o 
   0   3  11      350.24      336.76      8.83 o 
  -1   4  11     1227.65     1189.62     21.95 o 
   0   4  11     1546.52     1552.21     14.65 o 
  -2   5  11      557.22      574.79     16.22 o 
  -1   5  11       98.06      104.75      8.07 o 
   0   5  11     1323.52     1369.89     35.58 o 
  -2   6  11      925.88      980.38     16.33 o 
   0   0  12    23342.56    23611.17    288.66 o 
   0   1  12     5482.29     5557.81     30.49 o 
  -1   2  12     6376.10     6252.59     36.13 o 
   0   2  12     2993.20     2817.42     18.73 o 
  -1   3  12     2453.50     2340.75     13.02 o 
   0   3  12     3542.68     3378.52     23.25 o 
  -2   4  12     5853.81     5565.53     34.38 o 
  -1   4  12     2405.98     2305.73     12.99 o 
   0   4  12     1671.88     1554.95     17.50 o 
  -2   5  12     2347.91     2237.41     14.87 o 
  -1   5  12     1853.25     1853.99     15.89 o 
   0   5  12      882.77      979.28     30.74 o 
  -3   6  12     1563.01     1555.80     27.31 o 
   0   1  13     5981.33     5950.74     38.33 o 
   0   2  13     1915.52     1790.94     14.20 o 
  -1   3  13     6874.12     6677.51     27.40 o 
   0   3  13        4.83       47.19     15.86 o 
  -1   4  13     2694.87     2590.66     16.26 o 
   0   4  13     1605.06     1589.36     18.86 o 
  -2   5  13     1484.86     1473.02     12.83 o 
  -1   5  13        0.74        9.06      9.86 o 
   0   5  13     3504.03     3522.79     34.19 o 
   0   0  14    28176.42    28930.62    299.17 o 
   0   1  14      466.88      483.96      7.74 o 
  -1   2  14    25256.78    26778.69    108.64 o 
   0   2  14     1577.39     1369.14     12.43 o 
  -1   3  14        9.01       47.44      5.54 o 
   0   3  14    19042.20    20069.93     90.17 o 
  -2   4  14    15387.72    15383.08    101.53 o 
  -1   4  14       92.54      117.30      7.20 o 
   0   4  14      173.25      206.66     10.85 o 
  -2   5  14      376.70      354.76      8.69 o 
  -1   5  14    10991.29    10919.48     53.21 o 
   0   5  14        7.55       33.72     18.58 o 
   0   1  15    12088.89    12683.59     63.30 o 
   0   2  15     5561.52     5312.42     30.55 o 
  -1   3  15     8849.74     8710.37     33.44 o 
   0   3  15      131.94      164.39     12.31 o 
  -1   4  15     5695.16     5486.67     27.05 o 
   0   4  15     3747.34     3682.98     30.63 o 
  -2   5  15     4375.46     4302.03     26.61 o 
  -1   5  15       41.02      118.19     27.06 o 
   0   0  16     9116.48     9028.89    107.89 o 
   0   1  16     5169.71     4953.50     29.92 o 
  -1   2  16      537.41      515.18      7.32 o 
   0   2  16     7932.58     7830.99     41.54 o 
  -1   3  16     3329.19     3175.42     16.32 o 
   0   3  16      218.22      224.46      7.75 o 
  -2   4  16     1816.78     1741.70     19.59 o 
  -1   4  16     3129.83     3071.92     18.65 o 
   0   4  16     3640.19     3564.37     30.21 o 
  -2   5  16     2605.39     2545.17     20.71 o 
  -1   5  16      130.39      149.28      9.14 o 
   0   1  17       34.30       44.17      6.43 o 
   0   2  17      106.92      153.48     12.45 o 
  -1   3  17      151.86      160.66      5.70 o 
   0   3  17       46.29       57.01      8.36 o 
  -1   4  17       28.01       49.05      6.68 o 
   0   4  17       55.16       74.66     10.99 o 
  -2   5  17        2.61       15.99      8.20 o 
  -1   5  17       17.39       20.79     11.44 o 
   0   0  18      392.32      346.65     17.18 o 
   0   1  18    11108.76    11321.33     56.32 o 
  -1   2  18     2072.46     1926.25     14.87 o 
   0   2  18    10475.15    10566.68     55.78 o 
  -1   3  18     7014.69     6840.50     28.44 o 
   0   3  18     1449.03     1413.58     15.58 o 
  -2   4  18      379.85      386.06     11.89 o 
  -1   4  18     5544.47     5533.76     27.44 o 
   0   4  18     5103.01     5211.71     37.66 o 
  -2   5  18     4381.35     4383.87     28.03 o 
  -1   5  18      666.10      709.54     13.42 o 
   0   1  19    10138.47    10184.84     54.13 o 
   0   2  19     5200.04     4976.30     32.04 o 
  -1   3  19     6154.86     5895.91     25.77 o 
   0   3  19      261.80      261.76     10.92 o 
  -1   4  19     5150.76     5094.36     27.86 o 
   0   4  19     3499.57     3435.12     29.91 o 
  -2   5  19     4711.90     4640.39     27.61 o 
   0   0  20    13225.20    13810.72    181.64 o 
   0   1  20       72.83       96.75      7.39 o 
  -1   2  20    19896.82    21145.01    108.91 o 
   0   2  20        0.34       21.24      8.93 o 
  -1   3  20        3.18       40.41      7.02 o 
   0   3  20    14441.62    14757.08     73.22 o 
  -2   4  20     7977.05     7974.88     54.61 o 
  -1   4  20       19.65       28.51      8.74 o 
   0   4  20        0.52       20.43     13.55 o 
   0   1  21      354.06      328.64      8.68 o 
   0   2  21        7.17       21.19      8.98 o 
  -1   3  21      712.57      670.26      9.48 o 
   0   3  21        4.13       32.92     13.65 o 
  -1   4  21      146.32      168.41      8.31 o 
   0   4  21       29.34       36.84     15.10 o 
   0   0  22     3673.35     3610.63     59.79 o 
   0   1  22     3094.81     2948.24     22.12 o 
  -1   2  22     3773.31     3716.68     24.22 o 
   0   2  22      348.51      373.72     10.87 o 
  -1   3  22     1494.79     1500.04     13.50 o 
   0   3  22     2919.98     2953.28     24.46 o 
  -2   4  22     2478.86     2506.74     25.58 o 
  -1   4  22     1199.23     1226.18     13.30 o 
   0   1  23     4753.06     4689.58     29.42 o 
   0   2  23     5155.36     5043.08     34.19 o 
  -1   3  23     3502.66     3513.40     20.59 o 
   0   3  23       10.29       19.55     12.57 o 
  -1   4  23     2936.34     3036.07     21.57 o 
   0   0  24     3021.67     2887.78     52.35 o 
   0   1  24     7119.81     7053.60     40.10 o 
  -1   2  24     1080.64     1049.13     16.11 o 
   0   2  24     3693.65     3685.97     28.74 o 
  -1   3  24     5310.63     5343.26     26.81 o 
   0   3  24      983.32      937.95     16.49 o 
  -2   4  24     1826.57     1797.33     40.01 o 
   0   1  25     2608.90     2676.64     20.57 o 
   0   2  25     1928.17     1964.35     22.06 o 
  -1   3  25     2655.16     2694.15     18.36 o 
   0   3  25        2.53       20.76     14.96 o 
   0   0  26      327.93      376.23     24.08 o 
   0   1  26     1027.42     1057.56     14.25 o 
  -1   2  26     1426.94     1418.28     18.46 o 
   0   2  26      987.05      964.17     18.52 o 
  -1   3  26      976.96      993.24     11.96 o 
   0   1  27      357.17      372.74     10.00 o 
   0   2  27     1020.45      981.21     18.70 o 
   0   0  28    18920.41    19964.64    228.92 o 
   0   1  28        0.75       16.30     14.57 o 
  -1   2  28    11227.69    11608.08     66.45 o 
   0   2  28        3.95        8.39     20.60 o 
   0   1  29     3205.77     3229.23     29.89 o 
   0   0  30      117.80      107.89     71.60 o