#------------------------------------------------------------------------------
#$Date: 2018-12-15 05:31:49 +0200 (Sat, 15 Dec 2018) $
#$Revision: 212612 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/14/2021421.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_2021421
_cell_angle_alpha                90.000
_cell_angle_beta                 100.123
_cell_angle_gamma                90.000
_cell_length_a                   14.9367
_cell_length_b                   15.7910
_cell_length_c                   33.5896
_exptl_crystal_F_000             3440.00
_reflns_d_resolution_high        0.8197
_cod_data_source_file            yp3171ELMAM2_MoProsup3.hkl
_cod_data_source_block           ELMAM2_MoPro
_shelx_title                     ' written by MoPro v18'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            711.73
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0 4 113.768 114.863 9.130 o
0 0 6 10004.263 10183.624 122.534 o
0 0 8 20377.563 19839.895 273.926 o
0 0 10 8848.659 9754.164 152.491 o
0 0 12 5633.699 5743.920 107.292 o
0 0 14 23023.705 23440.922 377.086 o
0 0 16 27940.514 28126.037 515.842 o
0 0 18 429.985 359.627 42.394 o
0 0 20 715.299 685.105 54.839 o
0 0 22 12030.169 11993.084 240.462 o
0 0 24 2904.496 2723.313 108.376 o
0 0 26 30.788 52.734 58.571 o
0 0 28 22.248 50.166 59.431 o
0 0 30 1258.800 1433.001 98.379 o
0 0 32 982.260 1014.213 101.679 o
0 0 34 1477.493 1576.110 139.705 o
0 0 36 2.025 54.548 86.879 o
0 0 38 580.390 516.601 110.623 o
0 0 40 5.304 104.691 126.731 o
0 2 0 2028.367 1819.355 30.617 o
0 2 1 21430.166 22440.773 172.030 o
0 2 2 22355.219 23652.307 185.316 o
0 2 3 5138.233 5287.314 48.327 o
0 2 4 24221.980 23772.135 181.260 o
0 2 5 1080.000 1312.676 20.404 o
0 2 6 5750.916 5575.630 54.333 o
0 2 7 53179.500 57719.828 446.894 o
0 2 8 32722.328 33048.598 284.648 o
0 2 9 33492.234 36020.445 324.945 o
0 2 10 1695.325 1576.982 34.575 o
0 2 11 25.167 42.066 17.412 o
0 2 12 2115.588 2217.251 46.068 o
0 2 13 6467.618 7410.790 97.886 o
0 2 14 11517.967 11544.694 140.018 o
0 2 15 119812.297 119661.367 1155.243 o
0 2 16 1827.570 2157.956 60.833 o
0 2 17 4370.245 4488.022 81.978 o
0 2 18 4727.940 4536.561 89.388 o
0 2 19 688.703 865.198 43.626 o
0 2 20 173.206 155.362 30.184 o
0 2 21 86.280 113.614 29.929 o
0 2 22 4495.261 4428.903 95.848 o
0 2 23 4896.323 4923.059 103.648 o
0 2 24 990.940 922.275 51.794 o
0 2 25 538.885 574.399 46.137 o
0 2 26 3454.180 3343.746 94.317 o
0 2 27 1238.174 1253.049 69.116 o
0 2 28 1559.314 1578.396 69.729 o
0 2 29 355.500 409.363 46.302 o
0 2 30 2978.419 2978.474 98.333 o
0 2 31 49.501 155.640 59.439 o
0 2 32 187.632 306.237 53.407 o
0 2 33 624.329 568.071 66.688 o
0 2 34 71.426 112.397 64.277 o
0 2 35 16.076 253.792 103.466 o
0 2 36 293.041 230.122 65.654 o
0 2 37 460.609 366.627 72.230 o
0 2 38 1.014 141.779 81.802 o
0 2 39 11.524 30.258 74.357 o
0 2 40 132.514 219.887 96.767 o
0 4 0 259593.359 264594.875 3066.231 o
0 4 1 87157.766 90711.875 748.495 o
0 4 2 233812.531 241051.125 2059.719 o
0 4 3 2597.918 2943.741 41.194 o
0 4 4 913.610 735.176 22.275 o
0 4 5 15714.310 15529.505 156.576 o
0 4 6 15145.211 15555.459 157.971 o
0 4 7 18909.900 19007.725 188.269 o
0 4 8 4104.621 4396.024 62.074 o
0 4 9 49711.578 50250.727 469.410 o
0 4 10 10.724 55.711 21.232 o
0 4 11 13716.016 14105.151 159.834 o
0 4 12 5377.568 5529.434 80.551 o
0 4 13 4882.334 5080.525 77.696 o
0 4 14 192.526 195.985 23.123 o
0 4 15 31249.273 31029.854 327.969 o
0 4 16 1558.761 1780.657 49.998 o
0 4 17 4020.290 4318.319 77.332 o
0 4 18 5785.140 6144.113 102.991 o
0 4 19 9.752 57.325 28.561 o
0 4 20 650.641 543.588 37.844 o
0 4 21 1130.789 1089.363 52.977 o
0 4 22 6920.022 6892.161 126.793 o
0 4 23 131.674 177.727 37.982 o
0 4 24 15.079 10.777 29.119 o
0 4 25 797.094 774.084 58.493 o
0 4 26 141.721 130.303 41.214 o
0 4 27 124.129 161.628 44.515 o
0 4 28 3446.943 3183.695 102.626 o
0 4 29 410.915 448.632 54.259 o
0 4 30 785.419 741.616 64.299 o
0 4 31 2369.918 2100.228 93.820 o
0 4 32 32.729 193.946 65.436 o
0 4 33 3266.423 3242.273 120.048 o
0 4 34 28.691 163.121 61.048 o
0 4 35 291.036 269.713 72.026 o
0 4 36 788.274 630.579 89.232 o
0 4 37 287.657 307.439 82.863 o
0 4 38 25.905 148.044 72.321 o
0 4 39 132.651 156.362 76.213 o
0 6 0 52454.469 54045.359 599.458 o
0 6 1 34.298 48.547 22.057 o
0 6 2 48548.375 48623.715 432.690 o
0 6 3 116317.758 114779.891 1044.695 o
0 6 4 15733.560 15266.104 161.395 o
0 6 5 25692.682 27765.447 286.589 o
0 6 6 1085.908 1299.047 38.626 o
0 6 7 15442.634 15908.758 189.523 o
0 6 8 712.831 747.682 34.451 o
0 6 9 8076.476 8281.482 122.897 o
0 6 10 14881.554 14618.701 192.966 o
0 6 11 2.231 90.762 27.768 o
0 6 12 4951.409 4795.820 83.900 o
0 6 13 12531.356 12491.171 164.669 o
0 6 14 15685.451 15963.426 201.309 o
0 6 15 10335.940 10017.433 132.276 o
0 6 16 103.418 132.002 25.533 o
0 6 17 9520.778 10132.324 136.764 o
0 6 18 4345.200 4397.019 82.022 o
0 6 19 222.046 296.929 30.874 o
0 6 20 2916.878 2720.110 69.132 o
0 6 21 624.749 596.430 42.762 o
0 6 22 1570.465 1597.823 64.737 o
0 6 23 1896.398 1758.944 71.260 o
0 6 24 489.528 487.075 46.975 o
0 6 25 2.501 39.527 59.790 o
0 6 26 205.302 189.804 44.719 o
0 6 27 247.760 280.009 48.228 o
0 6 28 743.580 722.497 61.460 o
0 6 29 74.923 75.880 49.102 o
0 6 30 872.530 945.735 71.318 o
0 6 31 2.649 161.261 72.010 o
0 6 32 947.640 1064.262 83.770 o
0 6 33 0.076 30.500 57.953 o
0 6 34 59.796 121.823 77.308 o
0 6 35 2482.143 2465.964 133.170 o
0 6 36 490.644 593.996 100.599 o
0 6 37 0.608 14.025 79.391 o
0 6 38 1237.528 1425.281 152.161 o
0 8 0 13089.890 13114.277 207.166 o
0 8 1 261.591 247.409 24.861 o
0 8 2 46050.832 46065.688 420.236 o
0 8 3 4615.792 4916.178 76.580 o
0 8 4 768.767 867.713 35.617 o
0 8 5 14.806 31.055 30.672 o
0 8 6 6461.779 6059.571 97.124 o
0 8 7 21440.416 20940.656 232.856 o
0 8 8 6406.305 6722.888 97.442 o
0 8 9 1071.224 1031.761 42.992 o
0 8 10 412.668 485.070 33.545 o
0 8 11 2109.607 1982.057 60.946 o
0 8 12 2487.693 2407.706 67.011 o
0 8 13 626.513 604.246 37.907 o
0 8 14 177.443 245.323 32.347 o
0 8 15 2975.668 2833.819 72.197 o
0 8 16 443.336 447.340 37.747 o
0 8 17 113.562 140.028 39.870 o
0 8 18 2236.324 2321.894 71.311 o
0 8 19 1599.251 1621.125 63.288 o
0 8 20 5540.795 5511.476 114.499 o
0 8 21 2461.731 2536.911 87.924 o
0 8 22 1283.714 1345.532 68.969 o
0 8 23 15.720 113.229 49.166 o
0 8 24 482.153 430.966 51.689 o
0 8 25 2.068 39.839 44.120 o
0 8 26 91.337 143.089 51.032 o
0 8 27 123.257 136.307 52.866 o
0 8 28 271.846 222.592 54.759 o
0 8 29 672.041 689.560 85.201 o
0 8 30 213.073 283.773 67.734 o
0 8 31 0.499 49.133 76.296 o
0 8 32 2.594 32.065 73.579 o
0 8 33 11.993 23.944 65.473 o
0 8 34 17.947 39.176 79.816 o
0 8 35 193.618 337.709 92.253 o
0 8 36 98.684 64.371 100.752 o
0 10 0 314.227 229.166 36.965 o
0 10 1 3.817 7.607 22.600 o
0 10 2 2854.169 2606.985 62.508 o
0 10 3 297.673 351.115 30.682 o
0 10 4 21063.990 20812.213 241.676 o
0 10 5 6816.574 6568.581 104.921 o
0 10 6 354.063 355.097 32.857 o
0 10 7 1049.977 1004.843 44.439 o
0 10 8 3166.189 3129.127 74.405 o
0 10 9 2783.303 2881.475 72.924 o
0 10 10 1659.184 1951.409 57.809 o
0 10 11 1848.918 1887.928 58.152 o
0 10 12 4127.023 4166.960 85.755 o
0 10 13 5106.904 4954.379 103.124 o
0 10 14 1337.981 1263.011 58.982 o
0 10 15 221.850 259.975 39.352 o
0 10 16 6665.916 7046.943 139.272 o
0 10 17 9064.411 8771.275 162.267 o
0 10 18 30.506 57.003 38.624 o
0 10 19 2700.996 2582.876 91.269 o
0 10 20 2196.410 2483.921 91.480 o
0 10 21 9244.404 9612.094 201.245 o
0 10 22 34.097 98.010 63.679 o
0 10 23 784.971 773.888 69.521 o
0 10 24 679.583 623.160 65.894 o
0 10 25 289.416 287.362 67.133 o
0 10 26 3.041 99.035 61.508 o
0 10 27 3613.565 3292.248 151.442 o
0 10 28 208.435 355.769 76.364 o
0 10 29 895.211 879.088 94.420 o
0 10 30 153.631 122.569 69.732 o
0 10 31 1.100 29.362 68.990 o
0 10 32 138.274 57.583 92.650 o
0 10 33 50.888 108.633 78.915 o
0 10 34 66.462 138.229 82.023 o
0 12 0 1763.021 1724.686 88.064 o
0 12 1 1170.019 1190.926 55.821 o
0 12 2 4067.497 4124.617 88.864 o
0 12 3 61.440 49.273 37.734 o
0 12 4 1890.700 1780.259 63.634 o
0 12 5 243.674 235.970 36.909 o
0 12 6 3776.851 3717.488 87.016 o
0 12 7 6318.997 6579.558 118.163 o
0 12 8 1917.629 1921.502 67.510 o
0 12 9 36.327 65.228 44.751 o
0 12 10 3256.753 3126.951 90.721 o
0 12 11 2820.543 2861.982 87.918 o
0 12 12 3050.053 3005.323 91.084 o
0 12 13 2489.006 2694.576 100.515 o
0 12 14 199.322 268.269 52.412 o
0 12 15 1702.442 1551.482 82.784 o
0 12 16 63.413 121.053 66.008 o
0 12 17 0.068 74.268 66.836 o
0 12 18 338.134 371.045 69.622 o
0 12 19 1780.081 1898.972 113.178 o
0 12 20 761.344 704.556 81.059 o
0 12 21 592.575 604.309 78.869 o
0 12 22 284.512 260.017 69.714 o
0 12 23 241.482 227.947 69.333 o
0 12 24 505.242 603.201 87.102 o
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0 12 26 36.428 159.143 87.284 o
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0 12 28 761.188 656.370 90.633 o
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0 12 30 252.082 368.334 91.463 o
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1 1 -31 1689.224 1669.510 75.710 o
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