# 
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag 
# 
data_core 
_shelx_title ' arisite-(La) in P-6m2 CORE PPiilonen' 
_shelx_refln_list_code          4 
_shelx_F_calc_maximum      105.90 
_exptl_crystal_F_000       218.00 
_reflns_d_resolution_high  0.7135 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-y, x-y, z' 
 '-x+y, -x, z' 
 'x, y, -z' 
 '-y, x-y, -z' 
 '-x+y, -x, -z' 
 '-y, -x, z' 
 '-x+y, y, z' 
 'x, x-y, z' 
 '-y, -x, -z' 
 '-x+y, y, -z' 
 'x, x-y, -z' 
 
_cell_length_a     5.1131 
_cell_length_b     5.1131 
_cell_length_c     8.6759 
_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 
  -1   1   0     7025.28     5791.95    183.07 o 
   0   1   0     6966.34     6343.87    230.73 o 
  -2   2   0    10330.71    10164.38    219.12 o 
  -1   2   0     9500.55     8717.92    227.21 o 
   0   2   0    10182.64     9593.32    419.13 o 
  -3   3   0     4926.30     5131.13     64.12 o 
  -2   3   0     4562.01     4446.74     38.95 o 
  -1   3   0     4370.22     4389.79     39.14 o 
   0   3   0     5122.40     4914.35     51.53 o 
  -4   4   0     3376.10     3391.23     44.55 o 
  -3   4   0     2895.31     2864.03     28.85 o 
  -2   4   0     7974.50     7944.40     74.60 o 
  -1   4   0     2914.64     2885.15     26.45 o 
   0   4   0     3406.54     3219.62     45.44 o 
  -5   5   0     1460.41     1392.45     18.35 o 
  -4   5   0     2562.10     2515.98     26.01 o 
  -3   5   0     1749.01     1722.79     16.82 o 
  -2   5   0     1793.02     1753.83     21.08 o 
  -1   5   0     2490.49     2436.91     23.63 o 
   0   5   0     1547.70     1422.14     18.85 o 
  -6   6   0     1662.14     1661.99     25.30 o 
  -5   6   0     1261.87     1251.71     14.59 o 
  -4   6   0     1673.36     1645.52     17.67 o 
  -3   6   0     2044.92     2008.41     24.25 o 
  -2   6   0     1643.63     1626.67     20.10 o 
  -1   6   0     1242.27     1239.82     12.15 o 
   0   6   0     1648.77     1657.79     25.38 o 
  -4   7   0      896.36      890.96     13.76 o 
  -3   7   0      859.33      895.71     13.85 o 
   0   0   1       29.39       35.78      1.45 o 
  -1   1   1      343.87      345.15      3.24 o 
   0   1   1      322.92      336.62      3.27 o 
  -2   2   1      202.26      143.50      1.56 o 
  -1   2   1        2.74       34.06      0.50 o 
   0   2   1      165.81      127.40      1.42 o 
  -3   3   1        2.25        5.86      0.41 o 
  -2   3   1      243.86      275.94      2.28 o 
  -1   3   1      251.00      275.21      2.13 o 
   0   3   1        2.12       15.44      1.08 o 
  -4   4   1       33.66       27.92      1.71 o 
  -3   4   1       92.09       98.10      1.11 o 
  -2   4   1       17.27       12.25      0.52 o 
  -1   4   1       93.46       97.45      1.20 o 
   0   4   1       46.42       32.31      1.76 o 
  -5   5   1      106.81       93.77      1.76 o 
  -4   5   1        7.18        8.51      0.39 o 
  -3   5   1       76.75       68.91      1.50 o 
  -2   5   1       70.20       66.83      1.24 o 
  -1   5   1        7.18       10.10      0.72 o 
   0   5   1      101.95       96.37      2.00 o 
  -6   6   1       10.24       11.70      0.68 o 
  -5   6   1       41.50       46.01      0.92 o 
  -4   6   1       22.38       22.54      0.91 o 
  -3   6   1        5.90        9.18      0.71 o 
  -2   6   1       17.57       21.90      0.83 o 
  -1   6   1       43.24       47.00      0.95 o 
   0   6   1       10.66       11.52      1.13 o 
  -4   7   1       48.54       48.47      1.18 o 
  -3   7   1       50.96       49.28      1.29 o 
   0   0   2     9076.79     8661.79    154.91 o 
  -1   1   2     5903.65     5933.54     42.54 o 
   0   1   2     6378.53     6098.31     95.61 o 
  -2   2   2     9591.78    10166.36     89.55 o 
  -1   2   2     4305.48     4439.70     36.75 o 
   0   2   2     9558.25    10049.73    208.90 o 
  -3   3   2     2700.12     2771.37     21.66 o 
  -2   3   2     3157.35     3191.26     17.71 o 
  -1   3   2     3250.88     3186.63     16.94 o 
   0   3   2     2762.87     2718.46     23.68 o 
  -4   4   2     3316.05     3300.62     29.78 o 
  -3   4   2     2784.70     2662.30     20.27 o 
  -2   4   2     2969.59     2913.87     20.58 o 
  -1   4   2     2642.24     2576.30     17.65 o 
   0   4   2     3336.90     3159.43     31.50 o 
  -5   5   2     1135.73     1134.06     11.66 o 
  -4   5   2     1612.58     1586.70     11.64 o 
  -3   5   2     1865.37     1890.42     14.07 o 
  -2   5   2     2025.90     1886.13     14.90 o 
  -1   5   2     1589.27     1534.91     10.61 o 
   0   5   2     1140.69     1137.19     12.46 o 
  -6   6   2      927.47      956.10     12.13 o 
  -5   6   2     1078.64     1075.76      8.59 o 
  -4   6   2     1654.49     1585.67     13.60 o 
  -3   6   2     1318.98     1325.98     10.95 o 
  -2   6   2     1629.20     1587.09     12.63 o 
  -1   6   2     1103.65     1066.52      9.32 o 
   0   6   2      919.60      944.37     14.32 o 
  -4   7   2      711.09      749.01      7.34 o 
  -3   7   2      711.97      759.06      7.51 o 
   0   0   3        7.77       24.88      2.01 o 
  -1   1   3     2831.41     2887.16     21.62 o 
   0   1   3     2762.24     2849.88     22.90 o 
  -2   2   3      782.90      754.58      5.71 o 
  -1   2   3     2386.55     2743.96     14.54 o 
   0   2   3      909.92      785.92      6.32 o 
  -3   3   3     1523.26     1523.26     13.62 o 
  -2   3   3     1141.04     1110.01      7.06 o 
  -1   3   3     1137.97     1102.02      6.38 o 
   0   3   3     1461.80     1477.88     15.33 o 
  -4   4   3      411.79      369.55      4.69 o 
  -3   4   3      732.35      707.93      5.34 o 
  -2   4   3      181.45      196.49      1.73 o 
  -1   4   3      765.02      714.61      5.12 o 
   0   4   3      365.30      347.01      5.21 o 
  -5   5   3      377.69      387.01      5.09 o 
  -4   5   3      516.08      526.21      4.65 o 
  -3   5   3      686.49      688.52      6.26 o 
  -2   5   3      647.17      672.80      5.97 o 
  -1   5   3      540.23      523.62      4.95 o 
   0   5   3      368.90      370.66      5.01 o 
  -6   6   3       95.87      116.90      3.01 o 
  -5   6   3      234.86      223.51      2.78 o 
  -4   6   3      220.38      217.18      2.63 o 
  -3   6   3      289.42      296.33      3.29 o 
  -2   6   3      248.20      225.98      2.81 o 
  -1   6   3      227.24      222.67      2.68 o 
   0   6   3      100.40      121.02      6.37 o 
   0   0   4    11215.60    12952.32    230.07 o 
  -1   1   4     4129.45     4284.84     37.79 o 
   0   1   4     3982.13     4252.56     42.71 o 
  -2   2   4     3287.70     3324.51     27.37 o 
  -1   2   4     4596.17     4619.61     24.74 o 
   0   2   4     3264.27     3400.07     25.20 o 
  -3   3   4     2765.66     2869.01     23.99 o 
  -2   3   4     2732.66     2792.25     16.70 o 
  -1   3   4     2636.61     2738.48     14.75 o 
   0   3   4     2815.95     2877.48     23.56 o 
  -4   4   4     1498.19     1511.96     17.05 o 
  -3   4   4     1696.19     1757.57     11.22 o 
  -2   4   4     3334.40     3402.61     19.67 o 
  -1   4   4     1746.50     1747.47     10.34 o 
   0   4   4     1500.59     1485.16     13.09 o 
  -5   5   4      970.66      951.18     12.29 o 
  -4   5   4     1410.15     1403.41     11.20 o 
  -3   5   4     1164.28     1135.11      8.91 o 
  -2   5   4     1132.74     1143.71      8.20 o 
  -1   5   4     1389.22     1388.16     10.49 o 
   0   5   4     1005.09      974.41     11.93 o 
  -5   6   4      741.04      766.52      7.27 o 
  -4   6   4      816.47      859.07      7.71 o 
  -3   6   4     1074.39     1065.65      8.11 o 
  -2   6   4      813.58      851.60      6.98 o 
  -1   6   4      724.46      767.71      7.13 o 
   0   0   5      600.23      687.88     10.77 o 
  -1   1   5     3309.54     3498.78     32.61 o 
   0   1   5     3230.97     3426.49     36.06 o 
  -2   2   5      762.74      712.38      7.38 o 
  -1   2   5     1306.81     1205.58      6.70 o 
   0   2   5      690.98      706.43      7.38 o 
  -3   3   5     1069.48     1031.36      9.77 o 
  -2   3   5     2200.21     2277.82     12.46 o 
  -1   3   5     2236.08     2309.27     12.57 o 
   0   3   5     1027.67     1011.26     10.14 o 
  -4   4   5      576.46      578.20      6.42 o 
  -3   4   5     1310.70     1320.52      8.56 o 
  -2   4   5      523.80      517.48      3.51 o 
  -1   4   5     1338.20     1341.09      7.99 o 
   0   4   5      605.49      587.57      6.42 o 
  -5   5   5      961.90      912.92     13.51 o 
  -4   5   5      542.17      527.38      4.28 o 
  -3   5   5     1111.51     1060.34      7.58 o 
  -2   5   5     1049.94     1057.36      7.99 o 
  -1   5   5      560.09      534.97      4.58 o 
   0   5   5      928.41      919.63     12.03 o 
  -5   6   5      533.84      550.62      6.50 o 
  -4   6   5      397.45      418.97      4.25 o 
  -3   6   5      367.36      350.11      3.38 o 
  -2   6   5      392.82      423.12      3.77 o 
  -1   6   5      538.08      558.28      5.81 o 
   0   0   6      188.15      150.43      3.08 o 
  -1   1   6     1718.37     1744.35     16.59 o 
   0   1   6     1780.94     1761.37     19.04 o 
  -2   2   6     1214.84     1228.02     22.68 o 
  -1   2   6      858.26      930.44      7.04 o 
   0   2   6     1227.56     1269.31     12.27 o 
  -3   3   6      713.99      685.72      7.46 o 
  -2   3   6     1096.31     1099.29      7.08 o 
  -1   3   6     1144.63     1111.96      7.32 o 
   0   3   6      684.39      680.53      7.33 o 
  -4   4   6      673.51      677.56      8.02 o 
  -3   4   6      861.45      830.74      5.85 o 
  -2   4   6      264.27      255.23      2.08 o 
  -1   4   6      838.69      836.25      6.02 o 
   0   4   6      669.23      693.20      7.02 o 
  -5   5   6      464.98      471.42      8.05 o 
  -4   5   6      384.97      388.83      3.82 o 
  -3   5   6      687.41      700.38      5.37 o 
  -2   5   6      699.04      698.81      5.14 o 
  -1   5   6      398.54      390.45      3.68 o 
   0   5   6      445.07      476.54      8.31 o 
  -4   6   6      393.09      403.63      4.09 o 
  -3   6   6      278.02      302.16      3.28 o 
  -2   6   6      397.65      406.12      4.69 o 
   0   0   7     1738.09     1666.99     26.61 o 
  -1   1   7     3219.49     3096.90     39.29 o 
   0   1   7     3147.67     3113.17     41.14 o 
  -2   2   7     1863.40     1894.70     17.99 o 
  -1   2   7     3156.32     3285.65     22.53 o 
   0   2   7     1983.99     1943.50     23.28 o 
  -3   3   7     2269.85     2193.91     24.76 o 
  -2   3   7     2054.53     2017.99     13.72 o 
  -1   3   7     2037.39     2036.63     13.48 o 
   0   3   7     2213.73     2252.68     24.07 o 
  -4   4   7     1088.26     1092.51     13.56 o 
  -3   4   7     1477.07     1488.45      9.78 o 
  -2   4   7     1033.48     1028.01      6.63 o 
  -1   4   7     1517.70     1503.77     11.19 o 
   0   4   7     1031.59     1092.21     13.56 o 
  -5   5   7      842.16      873.29     13.94 o 
  -4   5   7     1083.22     1126.79     10.21 o 
  -3   5   7     1255.06     1283.89      9.05 o 
  -2   5   7     1207.66     1273.38      9.93 o 
  -1   5   7     1110.24     1131.58      9.90 o 
   0   5   7      835.77      890.41     12.69 o 
   0   0   8      396.69      441.97     10.32 o 
  -1   1   8      630.53      591.43     10.06 o 
   0   1   8      578.41      591.00      7.25 o 
  -2   2   8       84.06       88.59      1.73 o 
  -1   2   8      497.82      446.15      4.06 o 
   0   2   8       98.60       90.25      1.85 o 
  -3   3   8      354.90      345.14      5.08 o 
  -2   3   8      404.11      397.64      3.60 o 
  -1   3   8      385.43      394.48      3.72 o 
   0   3   8      345.81      342.80      5.12 o 
  -4   4   8       76.80       87.24      3.58 o 
  -3   4   8      238.02      263.24      2.67 o 
  -2   4   8      186.65      197.96      2.09 o 
  -1   4   8      264.11      262.70      2.70 o 
   0   4   8       68.85       77.56      2.06 o 
  -4   5   8      155.74      161.95      2.62 o 
  -3   5   8      243.78      236.08      2.92 o 
  -2   5   8      213.39      230.10      3.04 o 
  -1   5   8      160.20      166.55      2.69 o 
   0   0   9     1855.17     2043.61     40.95 o 
  -1   1   9     2151.32     2118.12     36.37 o 
   0   1   9     2164.29     2117.63     41.15 o 
  -2   2   9     1602.62     1500.28     27.47 o 
  -1   2   9     1464.87     1413.54     11.15 o 
   0   2   9     1535.92     1506.83     16.88 o 
  -3   3   9     1139.98     1151.91     14.90 o 
  -2   3   9     1668.50     1664.14     13.46 o 
  -1   3   9     1693.46     1666.57     13.42 o 
   0   3   9     1142.82     1147.93     13.92 o 
  -4   4   9      927.61      974.87     12.51 o 
  -3   4   9     1215.63     1241.52     10.33 o 
  -2   4   9     1086.17     1150.94      8.89 o 
  -1   4   9     1207.20     1238.27      9.59 o 
   0   4   9      962.22      956.43     12.96 o 
   0   0  10      250.85      259.36      7.24 o 
  -1   1  10       26.19       29.18      2.66 o 
   0   1  10       26.66       29.05      2.41 o 
  -2   2  10        2.74        6.70      1.29 o 
  -1   2  10        8.90        9.22      0.69 o 
   0   2  10        3.46        6.95      0.63 o 
  -3   3  10       12.15       13.94      1.13 o 
  -2   3  10       19.95       24.92      1.03 o 
  -1   3  10       21.44       24.28      0.90 o 
   0   3  10       10.41       17.62      1.18 o 
  -2   4  10       83.65       90.99      1.54 o 
   0   0  11     1879.32     1637.53     33.91 o 
  -1   1  11     1301.67     1240.40     14.02 o 
   0   1  11     1303.98     1234.74     15.16 o 
  -2   2  11     1367.01     1412.66     18.54 o 
  -1   2  11     1644.06     1567.97     15.00 o 
   0   2  11     1399.57     1418.42     18.61 o 
  -2   3  11      962.57      968.13     10.36 o 
  -1   3  11      950.95      962.05      9.34 o 
   0   0  12       45.97       38.21      2.32 o 
  -1   1  12       56.59       63.26      1.78 o 
   0   1  12       71.54       67.29      1.86 o