#
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag
#
data_athene
_shelx_title '  athene in P -6 2 m'
_shelx_refln_list_code          4
_shelx_F_calc_maximum      229.92
_exptl_crystal_F_000       250.00
_reflns_d_resolution_high  0.6203
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 'x, y, -z'
 'y, x, z'
 'y, x, -z'
 'x-y, -y, -z'
 'x-y, -y, z'
 '-x, -x+y, z'
 '-x, -x+y, -z'
 '-y, x-y, z'
 '-y, x-y, -z'
 '-x+y, -x, -z'
 '-x+y, -x, z'
 
_cell_length_a     6.8130
_cell_length_b     6.8130
_cell_length_c     3.4892
_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       41.22       59.04      9.86 o
   1   1   0      823.07     1029.50     39.41 o
  -1   2   0      809.69     1054.04     83.89 o
   0   2   0        6.14       10.92      2.13 o
   1   2   0    13999.66    15864.40    271.94 o
   2   2   0     2994.34     3630.09    124.91 o
  -1   3   0    12961.44    14522.79   1019.18 o
   0   3   0    32829.74    35463.95   2120.66 o
   1   3   0     3082.42     3875.55     92.89 o
   2   3   0     2379.47     2912.38     57.66 o
   3   3   0     4481.96     5371.78     69.43 o
  -2   4   0     3535.33     4353.72    500.04 o
  -1   4   0     3624.19     4607.46    259.82 o
   0   4   0     1351.99     1956.15     75.16 o
   1   4   0     7713.24     8178.37    538.84 o
   2   4   0     4864.62     5778.52     49.31 o
   3   4   0      236.63      328.43     12.35 o
   4   4   0     7663.80     8143.16    157.59 o
  -2   5   0     2873.74     3536.51    231.49 o
  -1   5   0     7827.97     8624.40    811.47 o
   0   5   0     1787.44     2438.94     96.61 o
   1   5   0     4347.37     4837.93    258.48 o
   2   5   0     3950.70     4471.53    109.26 o
   3   5   0      239.66      344.92     10.08 o
   4   5   0      418.16      424.03     12.44 o
   5   5   0     1771.31     1600.53     62.98 o
  -3   6   0     3261.14     3932.69    367.36 o
  -2   6   0     4500.82     5437.18    369.82 o
  -1   6   0     3901.84     4376.31    368.86 o
   0   6   0      766.03      787.53     37.78 o
   1   6   0     1061.95     1168.63     34.94 o
   2   6   0      524.73      555.15     11.61 o
   3   6   0     2052.36     2217.73     42.48 o
   4   6   0      244.63      199.77     18.13 o
  -3   7   0      377.62      463.01     24.49 o
  -2   7   0     4544.49     5135.36    352.25 o
  -1   7   0     1058.14     1132.05     63.03 o
   0   7   0      313.80      350.80      9.69 o
   1   7   0     4257.78     4651.21    137.94 o
   2   7   0     1164.77     1197.51     50.72 o
   3   7   0       87.66       61.48      5.59 o
  -4   8   0     8205.57     8779.52    739.83 o
  -3   8   0      198.76      284.61     14.55 o
  -2   8   0      514.02      569.78     43.42 o
  -1   8   0     4510.49     5054.89    268.22 o
   0   8   0      775.08      919.69     27.66 o
   1   8   0      223.51      170.22      5.90 o
   2   8   0     1319.67     1172.01     73.76 o
  -4   9   0      459.39      503.83     38.37 o
  -3   9   0     1119.47     1207.55     71.17 o
  -2   9   0     1345.45     1333.77    122.23 o
  -1   9   0      306.29      256.24     16.69 o
   0   9   0      621.60      486.06     19.99 o
  -5  10   0     2280.82     2339.96     59.80 o
  -4  10   0      223.33      197.00     13.64 o
  -3  10   0      175.23      155.99      7.27 o
  -2  10   0     1409.29     1373.89     49.43 o
   0   0   1     2521.43     1069.52     69.16 o
   0   1   1      124.65       98.86     10.50 o
   1   1   1    21420.22    17102.83   1459.87 o
  -1   2   1    24446.05    20833.37   2669.51 o
   0   2   1    19887.94    17283.17   1473.99 o
   1   2   1     6567.57     6208.65    409.36 o
   2   2   1     2400.08     2491.94    132.78 o
  -1   3   1     6291.13     6084.26    470.34 o
   0   3   1     1453.22     1463.29    141.33 o
   1   3   1     2045.01     2123.43    153.15 o
   2   3   1    10946.80    11423.08    403.61 o
   3   3   1     1465.05     1580.96     71.93 o
  -2   4   1     1678.57     1756.96    169.95 o
  -1   4   1     1374.15     1308.19    135.85 o
   0   4   1     1824.52     1797.84    158.15 o
   1   4   1     3112.41     3158.64    234.87 o
   2   4   1     1299.64     1275.47     60.80 o
   3   4   1      797.18      847.62     23.87 o
   4   4   1     5517.98     5913.66    206.37 o
  -2   5   1    11612.81    12366.33    686.97 o
  -1   5   1     3143.06     3265.41    264.02 o
   0   5   1     5599.96     5586.14    469.96 o
   1   5   1     3669.24     3746.26    273.53 o
   2   5   1     1033.19      927.20     69.77 o
   3   5   1      877.55      923.69     18.30 o
   4   5   1      175.11      193.39     10.41 o
   5   5   1      314.14      227.34     15.47 o
  -3   6   1     1072.60     1067.79     99.43 o
  -2   6   1     1624.85     1588.16    119.85 o
  -1   6   1     3215.54     3325.27    259.64 o
   0   6   1      914.06      821.28     79.50 o
   1   6   1     3167.41     3239.32    187.92 o
   2   6   1     1511.34     1259.34     98.62 o
   3   6   1      891.64      850.08     27.68 o
   4   6   1     1311.24     1364.89     33.23 o
  -3   7   1      463.16      517.85     25.42 o
  -2   7   1     1740.46     1661.28    135.58 o
  -1   7   1     2542.24     2462.14    206.14 o
   0   7   1      250.24      230.17     18.70 o
   1   7   1     2173.91     2016.66    135.37 o
   2   7   1      931.04      752.21     47.49 o
   3   7   1     1224.27     1150.67     27.78 o
  -4   8   1     5123.83     5451.96    357.57 o
  -3   8   1     1064.95     1070.34     64.17 o
  -2   8   1     1781.75     1473.05    134.03 o
  -1   8   1     1774.62     1466.97    141.47 o
   0   8   1       10.43       19.71      3.51 o
   1   8   1      307.11      274.86     16.09 o
   2   8   1       60.49       53.32      3.90 o
  -4   9   1      117.01      132.82      7.36 o
  -3   9   1      689.31      674.94     42.53 o
  -2   9   1     1211.77      951.06     73.85 o
  -1   9   1      160.41      153.10      9.19 o
   0   9   1      972.13      921.72     57.08 o
  -5  10   1      692.12      601.73     11.87 o
  -4  10   1     1241.56     1456.51     32.21 o
  -3  10   1     1353.97     1419.79     21.79 o
  -2  10   1      233.66      234.24      6.03 o
   0   0   2    52863.46    31867.16   5105.37 o
   0   1   2       12.26       49.28      8.57 o
   1   1   2      162.87      121.69      6.32 o
  -1   2   2       43.25       83.14      6.83 o
   0   2   2      137.60       60.40      3.65 o
   1   2   2     5756.11     4244.28    233.89 o
   2   2   2      841.99      761.57     69.14 o
  -1   3   2     5425.69     4211.70    281.19 o
   0   3   2    13232.63    11068.09    754.33 o
   1   3   2     1652.41     1373.64    103.44 o
   2   3   2     1261.99     1045.24     53.53 o
   3   3   2     1884.31     1906.31    144.71 o
  -2   4   2     1123.40     1132.52    132.84 o
  -1   4   2     1848.38     1568.58    122.38 o
   0   4   2      955.92      738.25     72.55 o
   1   4   2     2918.09     2850.48    192.56 o
   2   4   2     2405.25     2258.87    141.66 o
   3   4   2      275.65      231.61     13.02 o
   4   4   2     3569.47     3431.36    185.25 o
  -2   5   2     1436.28     1187.86    106.29 o
  -1   5   2     2973.82     2861.07    231.84 o
   0   5   2     1633.45     1277.37    113.22 o
   1   5   2     2073.31     1907.18    148.93 o
   2   5   2     1670.75     1548.99     97.60 o
   3   5   2      298.18      254.89     13.35 o
   4   5   2      162.36      178.71     12.23 o
   5   5   2      833.89      729.69     51.13 o
  -3   6   2     1278.71     1223.86    149.67 o
  -2   6   2     2258.40     2163.22    169.18 o
  -1   6   2     1901.90     1717.71    174.03 o
   0   6   2      137.89      178.45     12.73 o
   1   6   2      418.30      413.38     30.29 o
   2   6   2      175.36      209.38     19.01 o
   3   6   2     1130.70      982.76     54.09 o
   4   6   2       66.59       69.10      9.12 o
  -3   7   2      338.10      307.76     22.95 o
  -2   7   2     1954.01     1866.33    155.29 o
  -1   7   2      425.87      404.24     32.02 o
   0   7   2      355.58      264.58     18.81 o
   1   7   2     1927.68     1862.42    141.09 o
   2   7   2      575.11      581.68     36.76 o
   3   7   2       39.51       27.16      3.48 o
  -4   8   2     3872.55     3717.64    372.54 o
  -3   8   2      277.84      238.85     15.02 o
  -2   8   2      166.55      204.92     16.35 o
  -1   8   2     2078.19     1838.54    185.65 o
   0   8   2      685.30      577.91     39.49 o
   1   8   2       98.05       69.76      5.79 o
  -4   9   2      181.47      194.96     12.85 o
  -3   9   2      639.35      588.07     41.37 o
  -2   9   2      650.95      663.13     53.09 o
  -1   9   2      137.91      109.44      8.78 o
  -5  10   2     1092.46     1058.59     44.38 o
  -4  10   2       58.17       63.17      7.03 o
  -3  10   2       77.04       63.03      7.04 o
   0   0   3       41.02       21.26      7.83 o
   0   1   3        5.39       33.80      6.30 o
   1   1   3     4845.79     3569.90    305.39 o
  -1   2   3     5258.80     4473.64    232.18 o
   0   2   3     4441.10     3633.45    128.26 o
   1   2   3     1212.62      971.10     49.70 o
   2   2   3      476.16      369.99     32.57 o
  -1   3   3     1181.39     1039.69     36.96 o
   0   3   3        3.81       22.18      2.20 o
   1   3   3      885.07      625.27     36.23 o
   2   3   3     3116.69     2537.65    141.61 o
   3   3   3      149.02      170.61     11.16 o
  -2   4   3      355.01      314.25     19.45 o
  -1   4   3      668.60      509.36     22.34 o
   0   4   3      809.12      615.43     46.96 o
   1   4   3      283.55      344.41     23.44 o
   2   4   3      303.79      263.56     18.59 o
   3   4   3      311.76      252.81     12.65 o
   4   4   3     1253.90     1133.41     79.01 o
  -2   5   3     3295.82     2994.26    162.61 o
  -1   5   3      287.81      373.90     24.87 o
   0   5   3     1831.26     1505.38    102.00 o
   1   5   3      896.49      846.75     56.34 o
   2   5   3      553.07      420.80     23.74 o
   3   5   3      268.38      241.38     14.47 o
   4   5   3       26.88       31.38      3.64 o
  -3   6   3       89.14      118.89     15.19 o
  -2   6   3      423.04      383.30     23.44 o
  -1   6   3      771.79      769.16     53.90 o
   0   6   3       53.00       91.95      6.08 o
   1   6   3     1103.07      952.36     68.75 o
   2   6   3      438.64      390.12     25.37 o
   3   6   3      107.89      117.70      9.14 o
  -3   7   3      197.30      167.30      7.39 o
  -2   7   3      688.58      578.41     35.83 o
  -1   7   3      899.23      849.10     54.43 o
   0   7   3       45.86       32.32      3.67 o
   1   7   3      442.83      452.48     30.38 o
  -4   8   3     1163.75     1110.42    110.40 o
  -3   8   3      331.54      312.33     20.74 o
  -2   8   3      527.70      498.21     33.76 o
  -1   8   3      352.77      377.24     22.46 o
   0   8   3        5.89        9.67      2.55 o
  -4   9   3        6.15       16.05      2.54 o
  -3   9   3       76.89       95.81      9.60 o
   0   0   4     7836.28     9093.25   1175.26 o
   0   1   4       50.91       89.33     10.27 o
   1   1   4      179.46      144.59     12.48 o
  -1   2   4      106.93       97.22      8.32 o
   0   2   4      289.91      258.74     10.55 o
   1   2   4     1020.88     1038.27     64.75 o
   2   2   4       56.50       50.58      6.94 o
  -1   3   4     1064.88     1142.00     49.71 o
   0   3   4     1974.86     2131.15    103.94 o
   1   3   4      520.65      502.28     26.08 o
   2   3   4      422.22      395.09     25.17 o
   3   3   4      290.64      298.42     34.94 o
  -2   4   4      119.59      118.00      8.34 o
  -1   4   4      493.81      512.76     24.62 o
   0   4   4      293.60      361.97     17.69 o
   1   4   4      274.35      299.42     13.99 o
   2   4   4      496.86      483.28     29.96 o
   3   4   4      182.81      177.51     12.83 o
  -2   5   4      405.77      419.21     19.72 o
  -1   5   4      283.76      343.45     22.56 o
   0   5   4      870.87      775.96     32.76 o
   1   5   4      337.24      375.40     24.31 o
   2   5   4      227.43      222.94     17.10 o
  -3   6   4      188.00      245.78     28.90 o
  -2   6   4      510.78      546.51     27.43 o
  -1   6   4      349.53      412.55     24.64 o
   0   6   4       12.01       16.28      2.43 o
   1   6   4       52.59       47.22      4.67 o
  -3   7   4      177.77      194.92     10.64 o
  -2   7   4      264.56      285.90     15.25 o
  -1   7   4       50.76       54.13      7.78 o
   0   0   5      343.77      547.62     97.10 o
   0   1   5        3.61       27.70      2.82 o
   1   1   5      890.82     1495.02     97.58 o
  -1   2   5      839.90     1262.94     86.00 o
   0   2   5      707.73      969.11     39.74 o
   1   2   5      131.43      161.34      8.10 o
   2   2   5      112.65      227.53     17.63 o
  -1   3   5      141.05      161.32      9.22 o
   0   3   5      120.11      210.29      9.41 o
   1   3   5      261.20      386.70     22.63 o
   2   3   5      523.67      686.21     48.61 o
  -2   4   5      126.83      287.39     25.39 o
  -1   4   5      210.99      341.32     17.04 o
   0   4   5      156.30      334.47     18.70 o
  -2   5   5      549.99      742.84     37.54 o