data_2020274 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 17.9657 _cell_length_b 17.9657 _cell_length_c 4.0448 _exptl_crystal_F_000 1710.00 _reflns_d_resolution_high 0.6198 _cod_data_source_file ku3165Isup2.hkl _cod_data_source_block I _shelx_title ' Gd3 Ni7 Al14' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1198.03 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_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' 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 2469.82 2260.49 304.39 o -1 2 0 2219.28 1797.13 487.39 o 0 2 0 474.36 655.87 457.31 o 1 2 0 9619.73 10188.63 324.82 o 2 2 0 10342.67 10248.19 443.49 o -1 3 0 9269.39 9536.79 452.00 o 0 3 0 38480.42 38809.96 464.54 o 1 3 0 5719.14 5661.02 309.82 o 2 3 0 1859.59 1637.89 299.65 o 3 3 0 17130.71 17096.35 606.23 o -2 4 0 10387.37 10027.63 707.02 o -1 4 0 5769.39 5884.27 488.29 o 0 4 0 15410.83 15503.60 359.37 o 1 4 0 60453.71 61995.47 921.16 o 2 4 0 7078.20 7280.84 331.77 o 3 4 0 96665.96 96166.73 1750.18 o 4 4 0 84510.95 83461.42 2278.51 o -1 5 0 59999.53 59785.05 893.25 o 0 5 0 2035.10 1808.17 319.38 o 1 5 0 2890.10 3899.32 425.77 o 2 5 0 29617.56 30694.23 674.68 o 3 5 0 79837.40 80155.35 841.17 o 4 5 0 22203.71 22722.50 412.10 o 5 5 0 62619.47 62044.74 945.60 o -3 6 0 16265.37 16258.43 802.29 o -2 6 0 6980.06 7439.12 523.16 o -1 6 0 2943.81 2763.89 688.97 o 0 6 0 109884.82 111524.95 1769.14 o 1 6 0 76244.63 78466.85 1755.76 o 2 6 0 42077.93 43570.99 913.38 o 3 6 0 28065.36 27616.48 454.09 o 4 6 0 20915.79 20656.83 442.40 o 5 6 0 21934.35 21813.77 443.87 o 6 6 0 18721.86 17999.33 642.07 o -3 7 0 97321.98 96974.70 1488.32 o -2 7 0 30310.91 29744.15 901.58 o -1 7 0 77175.98 76143.45 1309.74 o 0 7 0 2007.49 2874.65 499.13 o 1 7 0 6855.56 7235.63 346.40 o 2 7 0 27662.71 28225.80 469.60 o 3 7 0 27892.26 28460.59 469.32 o 4 7 0 36322.13 36744.11 526.78 o 5 7 0 8816.41 8966.35 383.18 o 6 7 0 8406.68 8299.44 391.91 o 7 7 0 4024.85 4206.92 561.87 o -4 8 0 82482.92 82173.66 1864.32 o -3 8 0 77495.80 76367.91 1157.88 o -2 8 0 44247.34 44039.16 774.86 o -1 8 0 6638.50 6759.10 517.47 o 0 8 0 1223.87 1154.91 343.60 o 1 8 0 29727.95 30209.43 649.50 o 2 8 0 17258.66 18011.19 438.03 o 3 8 0 42424.69 44103.66 571.73 o 4 8 0 1460.22 1754.44 374.14 o 5 8 0 13664.20 14088.41 424.95 o 6 8 0 1173.15 995.84 713.04 o 7 8 0 19183.60 19036.12 538.32 o 8 8 0 25329.20 26229.12 848.19 o -4 9 0 24087.69 24149.34 659.06 o -3 9 0 29093.09 29345.49 704.01 o -2 9 0 25349.19 25524.62 675.39 o -1 9 0 31689.95 31384.42 1115.18 o 0 9 0 19612.64 19907.03 437.22 o 1 9 0 8703.09 8652.71 376.36 o 2 9 0 14477.93 13885.60 434.56 o 3 9 0 5916.74 5671.58 374.82 o 4 9 0 4813.61 4596.44 386.44 o 5 9 0 23093.39 23088.26 555.26 o 6 9 0 9711.48 10287.73 460.59 o 7 9 0 34807.46 35446.42 676.15 o 8 9 0 16174.92 16598.97 550.47 o 9 9 0 22317.88 22273.74 1692.33 o -5 10 0 63095.35 62783.29 1352.86 o -4 10 0 19997.43 20103.10 667.61 o -3 10 0 30370.97 30872.42 734.92 o -2 10 0 14905.92 14752.10 647.42 o -1 10 0 8908.77 8631.77 574.35 o 0 10 0 40660.23 41086.70 794.94 o 1 10 0 4463.30 4220.39 359.26 o 2 10 0 22668.04 22737.22 536.74 o 3 10 0 37517.46 38243.17 756.90 o 4 10 0 8827.98 8840.62 460.49 o 5 10 0 26361.66 26048.89 623.33 o 6 10 0 76675.01 76926.40 920.96 o 7 10 0 2733.01 2581.03 402.66 o 8 10 0 3409.47 3194.56 478.43 o 9 10 0 2109.67 2102.92 414.77 o 10 10 0 10800.84 11942.19 754.87 o -5 11 0 21150.19 21327.66 704.48 o -4 11 0 32813.98 32055.11 792.02 o -3 11 0 42236.06 41370.04 870.46 o -2 11 0 15645.89 16565.09 692.00 o -1 11 0 4098.89 4178.38 512.32 o 0 11 0 9387.89 9172.77 438.29 o 1 11 0 85411.77 86976.91 1000.95 o 2 11 0 31448.78 31146.96 634.50 o 3 11 0 13930.19 13587.83 514.37 o 4 11 0 25983.14 25813.07 623.96 o 5 11 0 14063.67 13849.85 512.52 o 6 11 0 18402.23 18298.14 578.48 o 7 11 0 6826.42 6580.13 451.05 o 9 11 0 13106.84 12577.54 562.62 o 10 11 0 1515.05 1446.34 626.47 o 11 11 0 4110.82 3382.60 705.19 o -6 12 0 19075.99 18190.95 1007.88 o -5 12 0 9231.50 9077.70 604.89 o -4 12 0 1715.39 2081.95 731.09 o -3 12 0 6103.07 6448.28 603.82 o -2 12 0 21154.70 20762.66 1277.15 o -1 12 0 82921.16 83531.17 1250.28 o 0 12 0 19914.91 19550.90 587.52 o 1 12 0 43429.45 43606.23 760.00 o 2 12 0 6114.69 6424.27 443.67 o 3 12 0 1010.66 882.52 749.14 o 4 12 0 32228.29 32711.53 687.70 o 5 12 0 11335.11 10728.11 533.15 o 6 12 0 28855.73 29396.10 690.04 o 7 12 0 1955.08 1473.83 490.20 o 8 12 0 1394.62 2102.60 593.67 o 9 12 0 11619.30 12107.67 555.22 o 10 12 0 727.88 1442.79 632.39 o 11 12 0 10669.97 11764.90 588.26 o 12 12 0 41643.89 41259.98 1284.76 o -6 13 0 8700.71 8164.37 629.70 o -5 13 0 13787.25 13482.96 684.55 o -4 13 0 5133.79 5091.99 592.93 o -3 13 0 34291.52 34471.31 932.05 o -2 13 0 38157.49 36881.76 977.17 o -1 13 0 43539.57 43050.81 1074.76 o 0 13 0 32023.32 31083.24 664.72 o 1 13 0 3308.98 3508.99 438.53 o 2 13 0 2333.04 1847.65 409.45 o 3 13 0 18015.86 18179.74 571.53 o 4 13 0 17772.70 17938.79 585.85 o 5 13 0 2773.63 2914.27 431.10 o 6 13 0 169.20 46.83 583.32 o 7 13 0 9873.51 9695.41 528.11 o 8 13 0 11577.13 11695.59 562.50 o 9 13 0 660.56 1409.02 905.59 o 10 13 0 15387.53 16101.25 681.49 o 11 13 0 2195.15 1924.50 1037.96 o 12 13 0 2013.78 2083.96 579.80 o 13 13 0 1872.67 1975.64 1033.95 o -7 14 0 2885.53 3868.05 847.42 o -6 14 0 621.58 466.33 823.35 o -5 14 0 24066.93 23481.99 850.78 o -4 14 0 9042.66 8783.35 696.76 o -3 14 0 12761.19 13011.02 749.73 o -2 14 0 5815.55 5536.40 667.64 o -1 14 0 3942.13 4230.08 882.52 o 0 14 0 13205.59 12631.96 551.53 o 1 14 0 38996.27 39415.52 830.86 o 2 14 0 317.87 227.21 554.01 o 3 14 0 10243.68 10149.59 518.56 o 4 14 0 1924.75 1852.48 499.33 o 5 14 0 10660.38 10123.30 542.29 o 6 14 0 4011.77 3919.22 559.20 o 7 14 0 15794.91 15241.64 608.10 o 8 14 0 11360.85 11501.54 656.50 o 9 14 0 6152.96 6580.66 531.43 o 10 14 0 485.39 39.11 943.69 o 11 14 0 1757.91 2078.60 663.18 o 12 14 0 2594.47 2396.13 717.57 o 13 14 0 3511.52 3304.87 555.84 o 14 14 0 25033.32 24866.05 1064.73 o -7 15 0 20177.24 19496.76 848.46 o -6 15 0 10443.87 9868.19 699.89 o -5 15 0 25645.21 24102.34 922.25 o -4 15 0 25271.66 23817.01 883.47 o -2 15 0 1808.10 1125.21 887.53 o -1 15 0 37384.31 36439.24 1042.05 o 0 15 0 3902.46 3890.60 446.27 o 1 15 0 473.60 397.13 773.21 o 2 15 0 4250.58 3866.28 452.16 o 3 15 0 7979.02 8137.12 505.46 o 4 15 0 8523.53 8373.00 521.95 o 5 15 0 18773.69 18198.80 636.15 o 6 15 0 7236.39 6953.17 522.02 o 7 15 0 4899.66 5099.83 509.93 o 8 15 0 4443.25 4352.00 508.22 o 9 15 0 58587.40 59409.28 966.97 o 10 15 0 1728.16 2076.93 1038.97 o 11 15 0 2154.38 1993.08 567.29 o 12 15 0 957.31 1239.36 711.05 o 13 15 0 898.05 314.90 979.80 o -8 16 0 24679.55 25987.21 1301.72 o -7 16 0 35056.48 35546.54 1019.34 o -6 16 0 78002.70 78966.35 1352.62 o -5 16 0 14026.29 13663.74 804.10 o -4 16 0 35735.10 35737.09 1037.43 o -3 16 0 17609.31 17083.46 823.13 o -2 16 0 279.66 394.13 804.30 o 0 16 0 285.54 108.13 579.07 o 1 16 0 7254.55 7287.08 512.64 o 2 16 0 24115.75 24015.25 700.59 o 3 16 0 4093.71 4154.05 465.40 o 4 16 0 9683.83 9633.71 575.88 o 5 16 0 4812.44 4288.23 506.42 o 6 16 0 6309.63 6345.15 522.23 o 7 16 0 3868.67 3940.85 511.74 o 8 16 0 1164.10 585.67 981.80 o 9 16 0 161.73 129.37 851.43 o 10 16 0 2624.94 2477.60 497.91 o 11 16 0 3370.56 3981.97 629.66 o 12 16 0 8949.34 9921.00 630.29 o -8 17 0 16662.49 16861.27 983.31 o -7 17 0 3186.46 2924.16 624.74 o -6 17 0 17309.04 18262.26 846.63 o -5 17 0 11361.64 10306.45 786.43 o -4 17 0 17577.08 17639.55 875.95 o -3 17 0 11233.62 10437.60 766.77 o -2 17 0 4426.44 5024.04 677.11 o -1 17 0 7231.89 8642.64 1042.48 o 1 17 0 19628.12 19617.98 641.29 o 2 17 0 17693.26 16930.70 642.76 o 3 17 0 1025.55 964.76 907.59 o 4 17 0 2765.19 3416.32 484.00 o 5 17 0 9771.21 10101.64 600.23 o 6 17 0 8334.76 8794.96 615.69 o 7 17 0 8182.89 8812.13 832.90 o 8 17 0 1678.23 1618.00 719.84 o 9 17 0 4212.75 4081.11 539.73 o 10 17 0 4842.71 6747.62 1295.91 o 11 17 0 3757.22 3515.90 650.12 o -9 18 0 22100.27 22126.19 1300.71 o -8 18 0 3489.93 3993.40 927.65 o -7 18 0 6289.70 8030.47 1154.30 o -6 18 0 28343.15 26745.00 1004.12 o -5 18 0 2843.68 2126.65 622.88 o -4 18 0 1921.42 1181.37 919.63 o -3 18 0 7173.22 7734.29 725.92 o -2 18 0 23871.01 22991.15 958.00 o -1 18 0 18425.70 17404.41 890.99 o 0 18 0 2122.59 1915.12 625.32 o 1 18 0 6763.64 7232.06 552.06 o 2 18 0 5556.34 5435.84 538.37 o 3 18 0 6296.07 6375.95 524.36 o 4 18 0 8865.40 9279.59 590.36 o 6 18 0 1192.12 1235.90 558.41 o 7 18 0 1825.28 2542.03 613.18 o 8 18 0 2097.19 2149.68 596.88 o 9 18 0 4596.37 4353.58 712.71 o -9 19 0 2251.63 2264.47 962.75 o -8 19 0 1677.88 1763.03 889.54 o -7 19 0 1469.76 1008.88 911.60 o -5 19 0 10498.65 10634.06 794.29 o -4 19 0 8202.61 7851.25 738.88 o -3 19 0 3903.43 3676.50 997.85 o -2 19 0 17469.82 16391.08 914.15 o -1 19 0 6598.43 6159.04 809.44 o 0 19 0 3740.74 3543.89 556.95 o 1 19 0 10077.19 9380.36 584.33 o 2 19 0 22916.98 22679.46 729.10 o 3 19 0 9435.31 9001.75 602.08 o 4 19 0 5321.92 4248.43 533.71 o 5 19 0 4714.63 4831.12 797.65 o 6 19 0 10499.41 10808.50 618.31 o 8 19 0 12012.70 11482.03 667.21 o 9 19 0 2257.52 2539.12 528.43 o -10 20 0 9521.38 9028.78 1149.28 o -9 20 0 14881.06 14014.67 833.81 o -8 20 0 853.97 1041.98 841.40 o -7 20 0 9865.92 9875.38 785.78 o -6 20 0 3761.36 4499.48 740.30 o -5 20 0 20520.66 20231.93 967.71 o -4 20 0 9499.56 10129.40 830.01 o -3 20 0 1186.27 1677.79 851.43 o -2 20 0 5788.96 6245.66 781.18 o -1 20 0 8956.53 9167.08 952.72 o 0 20 0 2318.05 2879.50 513.13 o 1 20 0 13734.19 13232.07 650.05 o 2 20 0 5067.59 5698.03 555.66 o 3 20 0 3421.84 3792.07 539.58 o 4 20 0 2544.10 2451.99 617.48 o 5 20 0 9130.18 8386.21 594.21 o 7 20 0 4682.76 4527.82 575.11 o 8 20 0 5917.12 5935.47 588.15 o -10 21 0 1758.98 1913.82 690.85 o -9 21 0 10846.23 10806.79 801.44 o -8 21 0 10516.72 11163.90 833.56 o -7 21 0 14158.18 13501.64 860.63 o -6 21 0 7850.26 8173.83 892.05 o -5 21 0 4643.26 4719.35 747.76 o -4 21 0 3055.62 4605.15 1059.02 o -3 21 0 5790.86 6597.65 800.98 o -2 21 0 23469.37 24882.47 1445.13 o -1 21 0 12427.21 13067.03 854.42 o 0 21 0 9250.71 9054.29 623.26 o 1 21 0 26.67 399.14 1001.86 o 2 21 0 8340.26 7986.42 610.98 o 3 21 0 3541.11 3673.21 554.17 o 4 21 0 8328.45 9757.88 603.21 o 5 21 0 3061.31 3177.68 623.39 o 6 21 0 744.11 628.17 717.02 o -11 22 0 4102.48 5151.71 1040.97 o -8 22 0 10611.28 11797.31 880.67 o -7 22 0 4322.41 4200.44 726.57 o -6 22 0 6863.45 7374.74 784.74 o -5 22 0 11024.58 12749.32 856.95 o -4 22 0 9600.28 10221.19 840.64 o -3 22 0 8627.49 10252.21 1523.85 o -2 22 0 5545.57 9235.48 807.86 o 0 22 0 1645.23 1342.83 1077.08 o 2 22 0 6169.36 7082.11 793.49 o 3 22 0 13998.15 14304.07 787.51 o 4 22 0 5967.10 6137.15 608.30 o 5 22 0 5337.68 5213.64 611.85 o -11 23 0 11302.31 11522.93 1086.10 o -10 23 0 14825.50 15716.03 1345.34 o -9 23 0 6464.49 6912.03 795.85 o -8 23 0 4307.27 5001.49 759.40 o -7 23 0 4383.48 5435.52 1062.03 o -6 23 0 8068.30 8301.32 844.52 o -4 23 0 4733.04 4199.08 727.70 o -3 23 0 4221.36 3913.07 753.21 o -2 23 0 8893.13 8207.65 836.88 o -1 23 0 1038.15 1162.29 714.57 o 0 23 0 14232.43 13842.51 702.31 o 1 23 0 511.14 474.35 952.72 o 2 23 0 1190.74 1296.49 580.83 o 3 23 0 6840.92 8072.51 883.84 o -12 24 0 42167.61 42683.89 1810.17 o -11 24 0 2133.08 2371.30 770.00 o -10 24 0 593.58 199.57 975.79 o -9 24 0 59858.30 62119.02 1438.68 o -8 24 0 1091.89 716.04 918.62 o -7 24 0 8005.92 7986.03 860.09 o -5 24 0 4050.37 3251.58 783.31 o -4 24 0 2443.38 2808.64 741.35 o -3 24 0 3775.42 3881.19 780.85 o -2 24 0 6250.53 6835.52 1099.14 o 0 24 0 1190.04 1487.20 747.98 o 1 24 0 5545.93 5764.20 618.40 o 2 24 0 179.55 4.01 935.67 o -12 25 0 2227.93 2165.13 738.28 o -11 25 0 2019.60 1546.51 741.09 o -10 25 0 1992.78 1368.91 1123.21 o -8 25 0 1530.29 1210.46 980.80 o -7 25 0 1660.55 1866.34 719.49 o -6 25 0 9790.24 9980.90 899.76 o -5 25 0 8576.49 8149.21 834.58 o -4 25 0 7991.99 8309.72 833.78 o -3 25 0 14291.52 13704.65 1095.13 o -2 25 0 1091.18 1701.86 1017.91 o -1 25 0 6005.64 5815.28 802.87 o 0 25 0 2962.42 2979.53 616.38 o -13 26 0 1148.46 1679.80 1071.06 o -12 26 0 2426.54 1551.96 799.92 o -11 26 0 2441.85 1925.12 767.71 o -10 26 0 2565.35 1249.57 1208.45 o -9 26 0 3952.11 3730.28 808.04 o -8 26 0 2304.35 1403.01 1079.08 o -7 26 0 292.47 36.10 961.75 o -6 26 0 1405.01 1573.49 1069.05 o -5 26 0 3884.22 3871.33 780.70 o -4 26 0 5873.86 6135.60 952.22 o -3 26 0 7542.23 8175.35 906.97 o -13 27 0 2749.72 2745.34 767.99 o -11 27 0 3674.64 4408.57 1000.36 o -10 27 0 5383.54 5819.26 810.11 o -9 27 0 4549.50 3645.23 806.88 o -8 27 0 11272.07 10039.27 914.82 o -7 27 0 4522.57 5063.72 1145.77 o -5 27 0 5430.44 4591.43 797.82 o -14 28 0 24898.42 22553.40 1739.97 o -12 28 0 8679.54 8837.77 882.95 o -11 28 0 3622.73 4017.41 944.70 o -10 28 0 1339.85 1174.35 1047.99 o -9 28 0 2540.56 1706.80 716.05 o -8 28 0 6437.02 6959.16 844.63 o 0 0 1 2215.64 1727.01 461.31 o 0 1 1 5031.28 4997.64 234.11 o 1 1 1 56173.14 56516.00 298.79 o -1 2 1 56121.30 55357.32 844.61 o 0 2 1 12925.18 12622.52 262.35 o 1 2 1 5264.11 5361.14 237.29 o 2 2 1 173769.38 173527.03 1548.39 o -1 3 1 5180.48 5270.09 354.05 o 0 3 1 2918.24 3051.29 253.37 o 1 3 1 6733.90 6704.70 242.62 o 2 3 1 19228.13 19108.75 274.91 o 3 3 1 71370.34 70526.86 746.90 o -2 4 1 175775.69 176225.73 1049.75 o -1 4 1 7059.07 7042.83 371.73 o 0 4 1 1131.34 1102.11 315.96 o 1 4 1 3546.44 3431.75 226.67 o 2 4 1 74041.62 74015.88 362.39 o 3 4 1 14638.36 14669.86 264.80 o 4 4 1 8671.04 8428.42 343.51 o -2 5 1 17862.30 17461.62 418.29 o -1 5 1 3127.94 3177.87 343.65 o 0 5 1 155289.45 162924.62 1776.35 o 1 5 1 145110.05 149441.28 979.84 o 2 5 1 44555.53 45121.53 362.20 o 3 5 1 26286.08 25680.36 316.41 o 4 5 1 23410.11 23550.73 314.07 o 5 5 1 22783.04 22396.06 458.47 o -3 6 1 70915.86 74664.53 896.86 o -2 6 1 75206.48 76227.53 875.45 o -1 6 1 143675.00 147235.25 1262.30 o 0 6 1 49364.44 49366.03 497.22 o 1 6 1 23978.72 24274.83 306.17 o 2 6 1 3961.88 3838.23 227.44 o 3 6 1 18520.28 18530.06 300.68 o 4 6 1 18448.17 18516.59 306.46 o 5 6 1 36517.10 36107.50 387.74 o 6 6 1 27571.22 27608.41 525.49 o -3 7 1 12808.56 12711.41 402.07 o -2 7 1 46107.34 46160.91 553.71 o -1 7 1 24552.57 24710.90 459.15 o 0 7 1 26588.03 26997.17 329.84 o 1 7 1 1446.32 1337.02 250.23 o 2 7 1 12006.92 12060.16 278.68 o 3 7 1 38494.19 38270.52 391.42 o 4 7 1 25097.57 25128.31 355.93 o 5 7 1 37960.80 38003.89 403.85 o 6 7 1 12427.78 12650.44 336.65 o 7 7 1 13060.80 12460.83 481.43 o -4 8 1 6236.29 5403.31 508.94 o -3 8 1 28218.68 27646.63 492.48 o -2 8 1 3984.52 4006.78 347.98 o -1 8 1 1721.55 1183.26 380.30 o 1 8 1 39913.12 39994.34 397.56 o 2 8 1 10946.69 10373.92 287.11 o 3 8 1 28263.37 28936.79 418.01 o 4 8 1 74335.64 74111.61 765.20 o 5 8 1 3351.82 3186.12 288.33 o 6 8 1 48951.86 49567.32 524.89 o 7 8 1 2004.99 1682.68 294.36 o 8 8 1 1437.07 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