#------------------------------------------------------------------------------
#$Date: 2020-07-07 08:01:05 +0300 (Tue, 07 Jul 2020) $
#$Revision: 254052 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/86/2108618.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2108618
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.4886
_cell_length_b                   11.4886
_cell_length_c                   11.4886
_exptl_crystal_F_000             1136.00
_reflns_d_resolution_high        0.7543
_cod_data_source_file            ra5078Mg3Ni2Gasup3.hkl
_cod_data_source_block           Mg3Ni2Ga
_shelx_title                     ' Mg3Ni2Ga_0m_a.res in Fd-3m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            716.51
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+3/4, -y+1/4, z+1/2'
'-x+1/4, y+1/2, -z+3/4'
'x+1/2, -y+3/4, -z+1/4'
'z, x, y'
'z+1/2, -x+3/4, -y+1/4'
'-z+3/4, -x+1/4, y+1/2'
'-z+1/4, x+1/2, -y+3/4'
'y, z, x'
'-y+1/4, z+1/2, -x+3/4'
'y+1/2, -z+3/4, -x+1/4'
'-y+3/4, -z+1/4, x+1/2'
'y+3/4, x+1/4, -z+1/2'
'-y, -x, -z'
'y+1/4, -x+1/2, z+3/4'
'-y+1/2, x+3/4, z+1/4'
'x+3/4, z+1/4, -y+1/2'
'-x+1/2, z+3/4, y+1/4'
'-x, -z, -y'
'x+1/4, -z+1/2, y+3/4'
'z+3/4, y+1/4, -x+1/2'
'z+1/4, -y+1/2, x+3/4'
'-z+1/2, y+3/4, x+1/4'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-x+3/4, -y+3/4, z+1'
'-x+1/4, y+1, -z+5/4'
'x+1/2, -y+5/4, -z+3/4'
'z, x+1/2, y+1/2'
'z+1/2, -x+5/4, -y+3/4'
'-z+3/4, -x+3/4, y+1'
'-z+1/4, x+1, -y+5/4'
'y, z+1/2, x+1/2'
'-y+1/4, z+1, -x+5/4'
'y+1/2, -z+5/4, -x+3/4'
'-y+3/4, -z+3/4, x+1'
'y+3/4, x+3/4, -z+1'
'-y, -x+1/2, -z+1/2'
'y+1/4, -x+1, z+5/4'
'-y+1/2, x+5/4, z+3/4'
'x+3/4, z+3/4, -y+1'
'-x+1/2, z+5/4, y+3/4'
'-x, -z+1/2, -y+1/2'
'x+1/4, -z+1, y+5/4'
'z+3/4, y+3/4, -x+1'
'z+1/4, -y+1, x+5/4'
'-z+1/2, y+5/4, x+3/4'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-x+5/4, -y+1/4, z+1'
'-x+3/4, y+1/2, -z+5/4'
'x+1, -y+3/4, -z+3/4'
'z+1/2, x, y+1/2'
'z+1, -x+3/4, -y+3/4'
'-z+5/4, -x+1/4, y+1'
'-z+3/4, x+1/2, -y+5/4'
'y+1/2, z, x+1/2'
'-y+3/4, z+1/2, -x+5/4'
'y+1, -z+3/4, -x+3/4'
'-y+5/4, -z+1/4, x+1'
'y+5/4, x+1/4, -z+1'
'-y+1/2, -x, -z+1/2'
'y+3/4, -x+1/2, z+5/4'
'-y+1, x+3/4, z+3/4'
'x+5/4, z+1/4, -y+1'
'-x+1, z+3/4, y+3/4'
'-x+1/2, -z, -y+1/2'
'x+3/4, -z+1/2, y+5/4'
'z+5/4, y+1/4, -x+1'
'z+3/4, -y+1/2, x+5/4'
'-z+1, y+3/4, x+3/4'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-x+5/4, -y+3/4, z+1/2'
'-x+3/4, y+1, -z+3/4'
'x+1, -y+5/4, -z+1/4'
'z+1/2, x+1/2, y'
'z+1, -x+5/4, -y+1/4'
'-z+5/4, -x+3/4, y+1/2'
'-z+3/4, x+1, -y+3/4'
'y+1/2, z+1/2, x'
'-y+3/4, z+1, -x+3/4'
'y+1, -z+5/4, -x+1/4'
'-y+5/4, -z+3/4, x+1/2'
'y+5/4, x+3/4, -z+1/2'
'-y+1/2, -x+1/2, -z'
'y+3/4, -x+1, z+3/4'
'-y+1, x+5/4, z+1/4'
'x+5/4, z+3/4, -y+1/2'
'-x+1, z+5/4, y+1/4'
'-x+1/2, -z+1/2, -y'
'x+3/4, -z+1, y+3/4'
'z+5/4, y+3/4, -x+1/2'
'z+3/4, -y+1, x+3/4'
'-z+1, y+5/4, x+1/4'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'x-3/4, y-1/4, -z-1/2'
'x-1/4, -y-1/2, z-3/4'
'-x-1/2, y-3/4, z-1/4'
'-z, -x, -y'
'-z-1/2, x-3/4, y-1/4'
'z-3/4, x-1/4, -y-1/2'
'z-1/4, -x-1/2, y-3/4'
'-y, -z, -x'
'y-1/4, -z-1/2, x-3/4'
'-y-1/2, z-3/4, x-1/4'
'y-3/4, z-1/4, -x-1/2'
'-y-3/4, -x-1/4, z-1/2'
'y, x, z'
'-y-1/4, x-1/2, -z-3/4'
'y-1/2, -x-3/4, -z-1/4'
'-x-3/4, -z-1/4, y-1/2'
'x-1/2, -z-3/4, -y-1/4'
'x, z, y'
'-x-1/4, z-1/2, -y-3/4'
'-z-3/4, -y-1/4, x-1/2'
'-z-1/4, y-1/2, -x-3/4'
'z-1/2, -y-3/4, -x-1/4'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'x-3/4, y+1/4, -z'
'x-1/4, -y, z-1/4'
'-x-1/2, y-1/4, z+1/4'
'-z, -x+1/2, -y+1/2'
'-z-1/2, x-1/4, y+1/4'
'z-3/4, x+1/4, -y'
'z-1/4, -x, y-1/4'
'-y, -z+1/2, -x+1/2'
'y-1/4, -z, x-1/4'
'-y-1/2, z-1/4, x+1/4'
'y-3/4, z+1/4, -x'
'-y-3/4, -x+1/4, z'
'y, x+1/2, z+1/2'
'-y-1/4, x, -z-1/4'
'y-1/2, -x-1/4, -z+1/4'
'-x-3/4, -z+1/4, y'
'x-1/2, -z-1/4, -y+1/4'
'x, z+1/2, y+1/2'
'-x-1/4, z, -y-1/4'
'-z-3/4, -y+1/4, x'
'-z-1/4, y, -x-1/4'
'z-1/2, -y-1/4, -x+1/4'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'x-1/4, y-1/4, -z'
'x+1/4, -y-1/2, z-1/4'
'-x, y-3/4, z+1/4'
'-z+1/2, -x, -y+1/2'
'-z, x-3/4, y+1/4'
'z-1/4, x-1/4, -y'
'z+1/4, -x-1/2, y-1/4'
'-y+1/2, -z, -x+1/2'
'y+1/4, -z-1/2, x-1/4'
'-y, z-3/4, x+1/4'
'y-1/4, z-1/4, -x'
'-y-1/4, -x-1/4, z'
'y+1/2, x, z+1/2'
'-y+1/4, x-1/2, -z-1/4'
'y, -x-3/4, -z+1/4'
'-x-1/4, -z-1/4, y'
'x, -z-3/4, -y+1/4'
'x+1/2, z, y+1/2'
'-x+1/4, z-1/2, -y-1/4'
'-z-1/4, -y-1/4, x'
'-z+1/4, y-1/2, -x-1/4'
'z, -y-3/4, -x+1/4'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'x-1/4, y+1/4, -z-1/2'
'x+1/4, -y, z-3/4'
'-x, y-1/4, z-1/4'
'-z+1/2, -x+1/2, -y'
'-z, x-1/4, y-1/4'
'z-1/4, x+1/4, -y-1/2'
'z+1/4, -x, y-3/4'
'-y+1/2, -z+1/2, -x'
'y+1/4, -z, x-3/4'
'-y, z-1/4, x-1/4'
'y-1/4, z+1/4, -x-1/2'
'-y-1/4, -x+1/4, z-1/2'
'y+1/2, x+1/2, z'
'-y+1/4, x, -z-3/4'
'y, -x-1/4, -z-1/4'
'-x-1/4, -z+1/4, y-1/2'
'x, -z-1/4, -y-1/4'
'x+1/2, z+1/2, y'
'-x+1/4, z, -y-3/4'
'-z-1/4, -y+1/4, x-1/2'
'-z+1/4, y, -x-3/4'
'z, -y-1/4, -x-1/4'
'z+1/2, y+1/2, x'
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 1 193234.89 197029.30 1717.62 o
0 2 2 15466.21 17321.77 283.95 o
2 2 2 3618.83 7849.47 264.61 o
1 1 3 2891.84 2244.21 110.63 o
1 3 3 7494.05 6484.13 147.00 o
3 3 3 282762.03 298827.25 2619.42 o
0 0 4 201888.91 197496.42 1820.62 o
2 2 4 72940.34 75976.34 472.22 o
0 4 4 481197.47 462148.59 3089.64 o
2 4 4 180664.86 185736.14 994.06 o
4 4 4 110056.11 105848.98 1140.58 o
1 1 5 513384.72 509450.75 2222.22 o
1 3 5 63432.07 61843.40 316.46 o
3 3 5 115867.78 113684.29 679.21 o
1 5 5 31679.77 30623.17 312.23 o
3 5 5 16529.30 16826.21 243.14 o
5 5 5 388876.12 392845.06 3482.01 o
0 2 6 53763.41 55056.36 386.33 o
2 2 6 132702.89 126220.21 698.68 o
2 4 6 15634.80 16898.08 179.14 o
4 4 6 235.88 264.74 149.18 o
0 6 6 504570.12 502977.75 3343.73 o
2 6 6 85659.00 83899.91 588.00 o
4 6 6 13969.66 15019.63 256.99 o
6 6 6 64065.93 65621.72 1161.35 o
1 1 7 24407.88 27346.25 277.06 o
1 3 7 277.02 483.91 98.09 o
3 3 7 24460.73 24367.28 292.95 o
1 5 7 2.54 293.18 106.77 o
3 5 7 71834.06 71881.80 390.10 o
5 5 7 38148.14 39225.88 447.69 o
1 7 7 144584.06 142180.09 904.45 o
3 7 7 5362.78 5154.53 212.37 o
5 7 7 106093.05 107281.91 876.61 o
7 7 7 41.92 1117.22 434.56 o
0 0 8 16387.35 15090.18 473.75 o
2 2 8 104694.95 106008.77 634.15 o
0 4 8 16860.86 16476.10 278.83 o
2 4 8 94899.02 94610.26 460.75 o
4 4 8 25918.32 25541.17 339.72 o
2 6 8 439.40 436.45 121.75 o
4 6 8 166.65 105.52 128.91 o
6 6 8 44710.30 45064.29 563.99 o
0 8 8 82506.85 81651.13 1009.67 o
2 8 8 56125.11 55661.50 602.52 o
4 8 8 152333.77 151595.33 1173.81 o
6 8 8 108.99 601.69 249.74 o
8 8 8 911.18 804.79 482.24 o
1 1 9 25539.93 25194.90 318.32 o
1 3 9 72072.02 71397.09 381.68 o
3 3 9 307652.91 303205.56 1588.13 o
1 5 9 12353.13 13496.38 201.89 o
3 5 9 2040.94 2244.63 140.88 o
5 5 9 4961.80 5549.57 267.69 o
1 7 9 42724.93 43666.41 401.80 o
3 7 9 25868.95 26898.83 308.49 o
5 7 9 5416.82 6015.98 216.67 o
7 7 9 36433.06 36738.43 590.16 o
1 9 9 1737.48 1897.70 258.51 o
3 9 9 30818.17 31755.00 519.78 o
5 9 9 66204.15 66828.44 884.46 o
7 9 9 225.82 296.13 327.22 o
0 2 10 39821.20 40506.81 411.16 o
2 2 10 292709.03 286550.84 1498.04 o
2 4 10 189.97 285.33 126.47 o
4 4 10 74305.66 72780.51 683.97 o
0 6 10 312.62 501.47 200.40 o
2 6 10 44570.56 45318.01 409.17 o
4 6 10 33303.86 33084.45 357.18 o
6 6 10 39069.64 41061.14 604.76 o
2 8 10 8470.57 8932.59 243.05 o
4 8 10 47891.49 48626.17 499.05 o
6 8 10 11379.39 11202.49 290.36 o
8 8 10 32450.99 32649.31 654.59 o
0 10 10 46855.98 45675.79 1227.05 o
2 10 10 1222.19 1163.81 260.38 o
4 10 10 7923.92 8100.18 412.52 o
1 1 11 2504.06 2541.91 212.35 o
1 3 11 37682.12 38173.76 334.82 o
3 3 11 42693.72 42794.66 516.92 o
1 5 11 33582.09 33989.73 358.16 o
3 5 11 4857.54 5282.69 190.78 o
5 5 11 12307.75 12701.14 372.04 o
1 7 11 88048.05 87792.41 606.24 o
3 7 11 37429.96 37461.88 439.16 o
5 7 11 26670.40 27144.81 393.93 o
7 7 11 3099.27 3206.93 319.73 o
1 9 11 6366.32 6722.87 249.64 o
3 9 11 549.33 460.03 206.23 o
5 9 11 9685.96 9657.96 312.45 o
0 0 12 66450.01 64576.48 1222.24 o
2 2 12 2349.67 2555.73 224.93 o
0 4 12 6806.44 7231.75 285.74 o
2 4 12 433.83 686.59 162.25 o
4 4 12 17203.35 18708.33 447.61 o
2 6 12 47363.36 46897.75 497.49 o
4 6 12 0.01 331.82 196.26 o
6 6 12 101344.57 98646.11 1098.23 o
0 8 12 136243.22 133865.06 1278.61 o
2 8 12 332.51 29.50 210.48 o
4 8 12 32524.94 32748.21 472.60 o
1 1 13 3032.04 2731.60 261.11 o
1 3 13 45354.10 46670.16 438.99 o
3 3 13 6490.51 7095.06 370.23 o
1 5 13 9768.86 9825.86 272.32 o
3 5 13 143.46 477.31 196.63 o
5 5 13 102.79 480.34 362.79 o
1 7 13 41727.08 41599.62 481.74 o
3 7 13 43364.03 42912.04 509.51 o
0 2 14 10037.37 10458.56 358.28 o
2 2 14 131824.69 129947.32 1220.83 o
2 4 14 6386.29 6497.08 278.37 o
4 4 14 32820.50 31498.30 654.97 o
0 6 14 10140.71 10432.38 392.98 o
1 1 15 8841.73 9697.35 406.75 o