# 
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag 
# 
data_cor-la 
_shelx_title '  cordylite-(La) - shape and empirical absorption corrections' 
_shelx_refln_list_code          4 
_shelx_F_calc_maximum      246.48 
_exptl_crystal_F_000       622.90 
_reflns_d_resolution_high  0.7708 
 
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     5.1182 
_cell_length_b     5.1182 
_cell_length_c    23.1785 
_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       27.42       51.85      8.56 o 
   0   2   0      440.93      408.49     17.86 o 
  -1   3   0      570.30      548.85     16.21 o 
   0   3   0    39196.98    38691.13    509.89 o 
  -2   4   0    60752.48    58385.51    869.86 o 
  -1   4   0        5.08       33.06     18.52 o 
   0   4   0        7.93       16.67     12.24 o 
  -2   5   0       50.51      233.91     59.37 o 
  -1   5   0    21281.30    22945.49    308.16 o 
   0   5   0      270.80      273.47     60.13 o 
  -3   6   0    17678.67    18710.53    385.73 o 
  -2   6   0        1.24       14.56     34.02 o 
  -1   6   0       38.99       54.57     45.09 o 
   0   1   1     8515.32     8236.18     75.94 o 
   0   2   1    18642.94    18643.57    162.40 o 
  -1   3   1     5072.78     4897.54     42.57 o 
   0   3   1      664.13      629.46     18.26 o 
  -1   4   1     4190.06     3946.22     45.83 o 
   0   4   1     5620.55     5408.68     85.33 o 
  -2   5   1     2755.36     2625.93     44.94 o 
  -1   5   1      134.81      165.86     22.98 o 
   0   5   1     1831.62     1823.92     61.33 o 
  -2   6   1     2853.39     2876.88     55.65 o 
  -1   6   1     2011.35     1990.89     48.23 o 
   0   1   2     7545.55     7534.15     74.53 o 
  -1   2   2      140.65      113.44      7.80 o 
   0   2   2    23641.10    23443.62    198.27 o 
  -1   3   2     7077.87     6996.73     58.50 o 
   0   3   2      220.53      184.18     12.63 o 
  -2   4   2      217.45      197.75     20.89 o 
  -1   4   2     4017.49     3863.96     46.16 o 
   0   4   2     6339.02     6390.44     90.91 o 
  -2   5   2     1928.00     1834.58     40.38 o 
  -1   5   2      168.29      158.33     16.05 o 
   0   5   2     2414.71     2402.24     66.77 o 
  -3   6   2      109.40      115.48     44.07 o 
  -2   6   2     2555.44     2590.42     51.37 o 
  -1   6   2     1914.89     1928.58     49.10 o 
   0   1   3     1926.46     1990.22     31.45 o 
   0   2   3     1685.06     1553.32     25.34 o 
  -1   3   3     4000.98     3942.15     39.59 o 
   0   3   3      195.51      191.42     11.02 o 
  -1   4   3     1129.78     1042.02     20.05 o 
   0   4   3     1003.03      963.54     31.33 o 
  -2   5   3      409.26      424.00     24.15 o 
  -1   5   3       43.64       41.45     16.04 o 
   0   5   3     1712.11     1720.54     57.94 o 
  -2   6   3      611.43      639.19     30.35 o 
  -1   6   3      775.61      819.85     35.94 o 
   0   1   4    21145.96    20525.26    199.04 o 
  -1   2   4      585.32      503.62     16.07 o 
   0   2   4    17343.52    17182.67    175.49 o 
  -1   3   4    13517.64    13778.16    109.67 o 
   0   3   4      615.95      564.11     20.21 o 
  -2   4   4     1300.56     1176.31     31.13 o 
  -1   4   4     8644.20     8808.82     88.75 o 
   0   4   4     7782.08     7722.30    110.09 o 
  -2   5   4     5869.13     5721.22     76.72 o 
  -1   5   4      678.81      636.36     21.45 o 
   0   5   4     5128.20     5342.98    158.14 o 
  -3   6   4      681.81      657.93     40.77 o 
  -2   6   4     4230.90     4312.17     65.03 o 
  -1   6   4     3751.99     3805.10     65.55 o 
   0   1   5    29585.29    28498.28    275.66 o 
   0   2   5    29150.77    28995.32    277.11 o 
  -1   3   5    10132.57    10366.51     89.29 o 
   0   3   5       13.41       28.29     12.64 o 
  -1   4   5    11311.33    11666.37    101.78 o 
   0   4   5    10836.08    11396.71    178.45 o 
  -2   5   5     9742.61     9871.48     99.78 o 
  -1   5   5        3.95       15.08     16.62 o 
   0   5   5     3269.30     3497.09    125.51 o 
  -2   6   5     5657.87     5729.46     78.48 o 
  -1   6   5     3924.14     3913.85     66.83 o 
   0   1   6    11670.30    12113.03    134.80 o 
  -1   2   6    24006.20    23481.70    229.57 o 
   0   2   6       26.39       73.92     12.98 o 
  -1   3   6     2079.40     1938.75     24.36 o 
   0   3   6    15258.89    15688.12    166.60 o 
  -2   4   6    14793.91    15248.48    158.75 o 
  -1   4   6     1574.39     1413.68     21.72 o 
   0   4   6       67.40       82.75     15.14 o 
  -2   5   6     1835.81     1729.23     39.28 o 
  -1   5   6     8576.66     8661.26     90.54 o 
   0   5   6      297.38      278.78     35.17 o 
  -3   6   6     6905.47     6814.08    113.50 o 
  -2   6   6      114.50      163.38     24.12 o 
  -1   6   6      158.04      183.38     29.70 o 
   0   1   7        4.52       15.21      8.12 o 
   0   2   7     3201.16     3196.65     45.18 o 
  -1   3   7        9.41       39.07      8.99 o 
   0   3   7      496.62      474.05     19.84 o 
  -1   4   7      132.82      181.95     17.97 o 
   0   4   7      653.80      597.70     21.05 o 
  -2   5   7       68.41       80.31     14.33 o 
  -1   5   7      111.86      115.46     16.68 o 
   0   5   7        0.79       18.75     32.30 o 
  -2   6   7      253.62      264.79     23.87 o 
  -1   6   7       76.61       77.14     26.22 o 
   0   1   8      492.57      465.15     15.49 o 
  -1   2   8    34392.66    34569.59    335.49 o 
   0   2   8       22.54       68.20     12.91 o 
  -1   3   8     1076.80     1020.01     25.13 o 
   0   3   8    20831.73    21346.26    212.32 o 
  -2   4   8     5530.73     5353.65     66.66 o 
  -1   4   8      222.05      197.48     10.88 o 
   0   4   8       66.82       65.12     17.21 o 
  -2   5   8       37.63       53.00      8.67 o 
  -1   5   8     8080.99     8134.82     83.54 o 
   0   5   8      504.40      557.53     33.30 o 
  -3   6   8     4904.60     4965.09     92.12 o 
  -2   6   8       54.75       62.41     21.16 o 
   0   1   9    18861.03    19622.88    247.22 o 
   0   2   9     7784.91     7904.07    100.02 o 
  -1   3   9     9638.06    10003.35     81.34 o 
   0   3   9      291.60      278.94     19.48 o 
  -1   4   9     6814.08     7345.12    204.75 o 
   0   4   9     4523.41     4211.69     65.02 o 
  -2   5   9     5575.34     5897.25    223.73 o 
  -1   5   9       71.56       81.90     15.00 o 
   0   5   9     3763.48     3860.68     88.26 o 
  -2   6   9     2780.11     2952.65     82.87 o 
   0   0  10    17412.63    18724.12    755.55 o 
   0   1  10    33347.77    33681.43    419.80 o 
  -1   2  10     6714.67     6895.85    102.23 o 
   0   2  10    14877.66    15395.91    184.31 o 
  -1   3  10    18039.09    18783.30    140.25 o 
   0   3  10     4068.48     3836.23     58.53 o 
  -2   4  10     4785.85     4553.46     60.87 o 
  -1   4  10    11826.45    12533.91    116.54 o 
   0   4  10     7823.37     7918.24    115.72 o 
  -2   5  10     8843.46     9331.68    138.07 o 
  -1   5  10     2230.42     2071.99     31.14 o 
   0   5  10     6179.76     6125.21     98.93 o 
  -3   6  10     1783.70     1731.30     54.20 o 
  -2   6  10     4582.65     4741.31     81.41 o 
   0   1  11     1892.08     1801.19     43.16 o 
   0   2  11     3572.30     3398.48     55.49 o 
  -1   3  11     2654.15     2533.88     44.48 o 
   0   3  11      352.57      406.09     38.25 o 
  -1   4  11     1182.61     1130.16     21.87 o 
   0   4  11     1507.87     1430.77     37.20 o 
  -2   5  11      517.59      592.04     28.67 o 
  -1   5  11       94.68      358.42     66.54 o 
   0   5  11     1241.80     1277.99     43.76 o 
  -2   6  11      866.80     1077.58     52.14 o 
   0   0  12    22991.02    24471.75    967.91 o 
   0   1  12     5581.81     5896.18    104.22 o 
  -1   2  12     6274.75     6332.08    100.80 o 
   0   2  12     2980.27     2899.07     49.20 o 
  -1   3  12     2478.68     2319.95     31.08 o 
   0   3  12     3472.53     3327.06     55.31 o 
  -2   4  12     5768.98     5559.44     74.26 o 
  -1   4  12     2390.61     2309.12     29.29 o 
   0   4  12     1602.03     1572.13     45.10 o 
  -2   5  12     2298.88     2224.27     29.23 o 
  -1   5  12     1818.22     1695.44     27.55 o 
   0   5  12      851.23     1088.18    124.03 o 
  -3   6  12     1542.24     1468.76     46.19 o 
   0   1  13     5937.75     6306.01    110.27 o 
   0   2  13     1871.83     1779.35     40.58 o 
  -1   3  13     6839.83     6833.60     69.42 o 
   0   3  13        4.07      102.93     46.48 o 
  -1   4  13     2647.47     2545.21     30.80 o 
   0   4  13     1558.94     1566.59     35.75 o 
  -2   5  13     1457.84     1521.25     34.33 o 
  -1   5  13        0.67       63.86     24.62 o 
   0   5  13     3423.04     3305.38     72.18 o 
   0   0  14    28190.91    29641.51   1133.85 o 
   0   1  14      476.23      499.68     23.35 o 
  -1   2  14    25286.59    27162.16    340.43 o 
   0   2  14     1542.47     1370.02     36.51 o 
  -1   3  14        8.30       58.72     15.83 o 
   0   3  14    18817.79    20018.33    217.21 o 
  -2   4  14    14892.19    15685.94    188.26 o 
  -1   4  14       82.23      150.37     22.18 o 
   0   4  14      169.42      303.26     67.77 o 
  -2   5  14      366.66      508.19     45.25 o 
  -1   5  14    10639.72    10651.30     98.43 o 
   0   5  14        6.31        7.84     48.03 o 
   0   1  15    12037.83    13349.17    192.70 o 
   0   2  15     5482.01     5410.96     93.77 o 
  -1   3  15     8769.62     9001.94     92.97 o 
   0   3  15      133.39      242.46     58.33 o 
  -1   4  15     5580.22     5400.76     55.03 o 
   0   4  15     3658.28     3506.99     62.93 o 
  -2   5  15     4280.09     4184.82     51.22 o 
  -1   5  15       40.23      111.54     23.83 o 
   0   0  16     9218.08     9301.45    388.76 o 
   0   1  16     5230.06     5563.92    104.16 o 
  -1   2  16      573.28      556.60     27.96 o 
   0   2  16     7888.14     8160.01    137.05 o 
  -1   3  16     3305.91     3121.54     44.83 o 
   0   3  16      237.95      234.18     21.98 o 
  -2   4  16     1848.31     1779.75     44.93 o 
  -1   4  16     3085.75     2984.54     40.22 o 
   0   4  16     3498.38     3413.06     61.60 o 
  -2   5  16     2538.94     2486.90     38.89 o 
  -1   5  16      154.50      148.93     17.93 o 
   0   1  17       42.21       60.00     12.77 o 
   0   2  17      117.21      158.67     24.96 o 
  -1   3  17      163.15      154.90     15.28 o 
   0   3  17       49.68       52.71     17.07 o 
  -1   4  17       30.92       64.56     15.32 o 
   0   4  17       54.86      110.52     36.51 o 
  -2   5  17        2.66       50.93     20.31 o 
  -1   5  17       17.11       35.56     23.05 o 
   0   0  18      380.37      375.67     46.92 o 
   0   1  18    11141.81    12496.01    195.32 o 
  -1   2  18     2086.62     1942.10     58.24 o 
   0   2  18    10493.27    11373.72    178.95 o 
  -1   3  18     7021.81     7123.25     82.43 o 
   0   3  18     1458.41     1388.85     40.81 o 
  -2   4  18      374.80      359.54     25.68 o 
  -1   4  18     5503.23     5456.10     68.32 o 
   0   4  18     5021.79     5066.44     99.19 o 
  -2   5  18     4308.58     4274.86     57.12 o 
  -1   5  18      666.55      665.65     26.26 o 
   0   1  19    10210.95    11189.29    192.42 o 
   0   2  19     5155.62     5097.76    109.00 o 
  -1   3  19     6094.75     5923.98     74.96 o 
   0   3  19      263.14      268.93     40.31 o 
  -1   4  19     5057.99     4938.21     63.33 o 
   0   4  19     3373.02     3338.26     75.97 o 
  -2   5  19     4586.33     4600.72     62.64 o 
   0   0  20    13272.21    14180.77    583.02 o 
   0   1  20       75.43       91.25     13.43 o 
  -1   2  20    19883.11    21928.07    434.12 o 
   0   2  20        0.11       26.28     46.95 o 
  -1   3  20        2.36       10.87     14.46 o 
   0   3  20    14390.40    15298.42    238.43 o 
  -2   4  20     7907.45     7847.80    122.58 o 
  -1   4  20       22.11       41.64     25.13 o 
   0   4  20        0.18       41.79     33.90 o 
   0   1  21      340.78      323.72     18.77 o 
   0   2  21        5.22       17.59     49.37 o 
  -1   3  21      691.40      660.08     28.01 o 
   0   3  21        4.32       34.87     43.34 o 
  -1   4  21      130.41      144.28     22.85 o 
   0   4  21       22.10       29.31     41.80 o 
   0   0  22     3872.86     3628.87    143.02 o 
   0   1  22     3137.49     3036.11     54.75 o 
  -1   2  22     3852.15     3840.22     90.99 o 
   0   2  22      370.12      370.85     37.82 o 
  -1   3  22     1504.71     1481.74     40.88 o 
   0   3  22     2925.52     2939.43     84.79 o 
  -2   4  22     2529.58     2542.99     73.26 o 
  -1   4  22     1194.74     1193.79     34.39 o 
   0   1  23     4787.76     4842.56     73.70 o 
   0   2  23     5176.57     5057.51    114.09 o 
  -1   3  23     3488.07     3461.10     63.88 o 
   0   3  23       11.02       13.01     42.93 o 
  -1   4  23     2922.83     2924.95     55.65 o 
   0   0  24     2995.64     2774.48    121.98 o 
   0   1  24     7116.01     7232.03    113.57 o 
  -1   2  24     1062.50     1022.42     46.61 o 
   0   2  24     3684.47     3613.45     91.84 o 
  -1   3  24     5262.94     5217.51     87.70 o 
   0   3  24      941.27      876.89     54.42 o 
  -2   4  24     1731.45     1691.55     85.17 o 
   0   1  25     2625.60     2554.33     62.47 o 
   0   2  25     1918.26     1902.16     64.34 o 
  -1   3  25     2656.78     2562.92     58.57 o 
   0   3  25        2.98        8.54     51.22 o 
   0   0  26      292.59      329.80     43.99 o 
   0   1  26     1067.83     1023.30     34.56 o 
  -1   2  26     1377.82     1345.07     60.29 o 
   0   2  26     1022.85      972.05     48.75 o 
  -1   3  26     1006.94      975.53     43.08 o 
   0   1  27      363.35      366.05     27.52 o 
   0   2  27     1046.35      971.71     50.64 o 
   0   0  28    19289.63    20331.98    918.06 o 
   0   1  28        1.13       15.29     40.27 o 
  -1   2  28    11458.12    11325.59    189.23 o 
   0   2  28        3.76        5.66     50.70 o 
   0   1  29     3188.69     3038.81     81.98 o 
   0   0  30      132.07      128.08    155.55 o