# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_I _shelx_title ' Dy2Ge2Al in P 4/m b m' _shelx_refln_list_code 4 _shelx_F_calc_maximum 312.58 _exptl_crystal_F_000 418.00 _reflns_d_resolution_high 0.6489 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x+1/2, -y+1/2, -z' '-x, -y, z' '-x+1/2, y+1/2, -z' 'y+1/2, x+1/2, -z' 'y, -x, z' '-y, x, z' '-y+1/2, -x+1/2, -z' '-x, -y, -z' '-x-1/2, y-1/2, z' 'x, y, -z' 'x-1/2, -y-1/2, z' '-y-1/2, -x-1/2, z' '-y, x, -z' 'y, -x, -z' 'y-1/2, x-1/2, z' _cell_length_a 7.0194 _cell_length_b 7.0194 _cell_length_c 4.2910 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _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 2 0 15160.02 12330.72 748.27 o 1 2 0 7245.47 6763.44 240.07 o 2 2 0 8898.45 8332.59 112.90 o 1 3 0 24078.88 23561.24 503.19 o 2 3 0 8050.20 6995.29 264.53 o 3 3 0 40720.72 32104.60 3190.29 o 0 4 0 14145.49 12639.45 631.53 o 1 4 0 23385.53 22828.43 681.59 o 2 4 0 2144.63 1655.26 396.38 o 3 4 0 1032.01 1034.19 58.85 o 4 4 0 7268.85 6951.94 198.72 o 1 5 0 63.90 113.56 14.26 o 2 5 0 825.55 768.05 115.34 o 3 5 0 7296.00 6441.25 506.68 o 4 5 0 7103.53 7166.03 159.54 o 5 5 0 5765.88 5666.70 279.53 o 0 6 0 21727.89 22338.40 430.94 o 1 6 0 7854.57 7526.05 96.71 o 2 6 0 4151.39 4117.31 192.89 o 3 6 0 927.76 995.63 70.92 o 4 6 0 574.31 592.79 89.98 o 5 6 0 3975.11 4094.98 94.25 o 6 6 0 8030.08 8392.74 399.07 o 1 7 0 494.04 479.22 40.43 o 2 7 0 15247.35 15010.92 505.11 o 3 7 0 1883.91 2060.82 66.52 o 4 7 0 10483.47 11123.01 107.43 o 5 7 0 333.17 489.78 74.16 o 6 7 0 109.67 105.35 38.45 o 7 7 0 61.38 195.39 72.16 o 0 8 0 1531.59 1662.94 543.34 o 1 8 0 2052.31 2205.95 157.75 o 2 8 0 3299.33 3478.08 244.43 o 3 8 0 250.05 199.82 28.02 o 4 8 0 37.80 101.64 31.06 o 5 8 0 609.89 600.43 86.67 o 6 8 0 2913.11 3289.63 212.57 o 1 9 0 627.24 538.79 44.08 o 2 9 0 4216.68 4205.84 257.51 o 3 9 0 2348.27 2342.22 157.80 o 4 9 0 1628.31 1674.70 154.31 o 5 9 0 3854.40 4080.00 355.20 o 6 9 0 97.79 111.82 94.41 o 0 10 0 73.48 48.37 43.64 o 1 10 0 7781.11 8116.63 128.22 o 2 10 0 2.25 45.33 39.17 o 3 10 0 15.23 80.15 44.69 o 4 10 0 10.56 62.37 80.71 o 0 0 1 10706.46 10411.81 341.94 o 1 1 1 156.33 272.33 24.16 o 0 2 1 21678.97 22299.62 453.54 o 1 2 1 50358.09 50716.73 759.04 o 2 2 1 3224.78 2952.73 47.82 o 1 3 1 517.97 994.06 119.41 o 2 3 1 832.04 730.69 101.73 o 3 3 1 18859.10 18412.69 218.99 o 0 4 1 334.21 2942.13 1007.70 o 1 4 1 23500.74 23980.54 396.77 o 2 4 1 155.44 170.53 17.94 o 3 4 1 559.39 753.46 154.25 o 4 4 1 4426.94 4685.16 140.04 o 1 5 1 8971.98 9151.37 138.21 o 2 5 1 16410.92 15823.54 222.50 o 3 5 1 14541.62 14141.92 309.04 o 4 5 1 7286.42 7410.39 299.14 o 5 5 1 2693.60 2831.05 182.17 o 0 6 1 12114.06 12379.00 133.98 o 1 6 1 3.04 132.35 26.50 o 2 6 1 7159.58 7087.32 122.75 o 3 6 1 1696.88 1631.34 52.80 o 4 6 1 1020.12 1110.27 42.99 o 5 6 1 17.31 156.70 22.92 o 6 6 1 5830.39 6232.40 361.16 o 1 7 1 207.19 200.94 23.91 o 2 7 1 3667.17 3665.91 74.32 o 3 7 1 618.46 659.04 30.06 o 4 7 1 8941.38 9138.10 226.26 o 5 7 1 1221.32 1276.71 91.70 o 6 7 1 2613.55 2623.27 140.66 o 7 7 1 245.28 255.41 44.74 o 0 8 1 18565.99 20780.89 908.95 o 1 8 1 2598.18 2679.17 66.60 o 2 8 1 1953.67 1883.43 56.91 o 3 8 1 57.53 116.34 19.95 o 4 8 1 2530.11 2636.67 76.78 o 5 8 1 789.31 804.58 61.87 o 6 8 1 4699.47 4910.75 242.62 o 1 9 1 1619.08 1649.89 99.66 o 2 9 1 119.91 134.26 22.79 o 3 9 1 7671.29 8481.37 180.35 o 4 9 1 1457.22 1363.18 67.00 o 5 9 1 1043.06 893.36 67.48 o 0 10 1 48.46 42.69 47.05 o 1 10 1 2187.72 1963.33 115.80 o 2 10 1 54.49 158.75 34.27 o 3 10 1 915.58 816.68 53.41 o 0 0 2 97703.33 96362.30 6756.87 o 1 1 2 4337.08 4119.19 56.98 o 0 2 2 10244.24 10052.73 153.95 o 1 2 2 5128.94 5400.54 88.57 o 2 2 2 6126.18 6433.49 99.30 o 1 3 2 16739.23 16065.83 230.66 o 2 3 2 5664.65 5377.16 72.76 o 3 3 2 29964.67 29664.62 282.84 o 0 4 2 10128.71 9661.30 194.48 o 1 4 2 17248.04 17195.73 178.06 o 2 4 2 1588.25 1455.10 50.34 o 3 4 2 784.87 785.86 23.87 o 4 4 2 5417.65 5710.85 293.44 o 1 5 2 62.80 106.57 8.92 o 2 5 2 703.28 730.96 30.44 o 3 5 2 5824.86 5779.15 118.27 o 4 5 2 5695.61 5672.08 158.82 o 5 5 2 4652.03 4839.86 440.11 o 0 6 2 17093.77 17880.11 478.35 o 1 6 2 6058.64 5942.61 109.66 o 2 6 2 3352.92 3204.48 59.14 o 3 6 2 695.88 694.50 50.32 o 4 6 2 475.14 465.94 28.80 o 5 6 2 3175.84 3142.45 143.94 o 6 6 2 6654.71 6623.99 214.20 o 1 7 2 383.37 359.13 23.00 o 2 7 2 12268.52 12370.98 216.57 o 3 7 2 1473.29 1377.85 76.91 o 4 7 2 8662.70 9179.93 198.19 o 5 7 2 254.48 220.82 26.63 o 6 7 2 101.64 148.51 28.33 o 7 7 2 49.02 102.45 41.49 o 0 8 2 1364.52 1422.54 82.41 o 1 8 2 1705.90 1695.92 57.94 o 2 8 2 2716.84 2663.58 59.13 o 3 8 2 205.46 171.28 20.79 o 4 8 2 25.00 92.11 21.63 o 5 8 2 515.73 384.88 34.06 o 6 8 2 2488.84 2410.00 331.26 o 1 9 2 532.77 483.54 54.63 o 2 9 2 3469.37 3409.04 166.62 o 3 9 2 2023.55 1865.01 100.28 o 4 9 2 1376.62 1056.79 46.30 o 5 9 2 3239.78 2749.65 246.85 o 0 10 2 61.48 142.19 59.27 o 1 10 2 6530.34 6796.79 240.69 o 2 10 2 1.63 66.32 50.26 o 0 0 3 5875.46 5810.08 255.76 o 1 1 3 93.81 174.69 15.49 o 0 2 3 10885.67 11299.50 99.20 o 1 2 3 25218.82 25820.19 240.38 o 2 2 3 1747.79 1731.66 50.58 o 1 3 3 342.15 446.13 17.49 o 2 3 3 392.25 427.20 21.34 o 3 3 3 11315.46 11350.72 226.80 o 0 4 3 131.52 125.73 15.70 o 1 4 3 13661.73 14127.21 183.87 o 2 4 3 103.38 164.82 18.00 o 3 4 3 349.95 378.76 24.77 o 4 4 3 2469.83 2378.94 63.73 o 1 5 3 5280.63 5330.26 91.43 o 2 5 3 9864.61 10087.36 154.00 o 3 5 3 9179.30 9203.04 195.00 o 4 5 3 4787.23 4746.18 104.78 o 5 5 3 1855.26 1659.83 101.29 o 0 6 3 7986.30 8269.95 316.38 o 1 6 3 11.17 108.78 13.92 o 2 6 3 4622.47 4690.75 95.49 o 3 6 3 1020.33 946.18 31.12 o 4 6 3 676.68 562.31 35.54 o 5 6 3 3.84 86.25 23.98 o 6 6 3 4129.16 3746.59 349.12 o 1 7 3 122.29 184.88 22.95 o 2 7 3 2631.60 2783.59 122.73 o 3 7 3 359.68 242.33 29.83 o 4 7 3 6223.95 6259.03 299.61 o 5 7 3 789.85 640.76 64.96 o 6 7 3 1793.66 1608.95 123.59 o 0 8 3 12351.81 14235.31 754.23 o 1 8 3 1790.32 1750.18 49.69 o 2 8 3 1387.56 1232.32 51.55 o 3 8 3 42.55 92.53 23.45 o 4 8 3 1703.36 1422.78 122.50 o 5 8 3 561.40 276.47 55.82 o 1 9 3 1133.62 923.37 57.92 o 2 9 3 105.62 113.32 26.94 o 3 9 3 5374.04 5377.30 501.20 o 0 0 4 39074.07 40150.83 337.15 o 1 1 4 1751.99 1959.23 64.94 o 0 2 4 4583.01 4786.23 122.06 o 1 2 4 2573.95 2545.65 55.51 o 2 2 4 2764.86 2814.57 69.71 o 1 3 4 7403.43 7873.16 127.30 o 2 3 4 2460.65 2561.96 41.28 o 3 3 4 14726.77 16196.23 247.86 o 0 4 4 4559.90 5108.39 68.96 o 1 4 4 8651.39 9109.84 107.10 o 2 4 4 761.49 753.94 28.25 o 3 4 4 404.15 427.10 26.99 o 4 4 4 2495.59 2405.62 138.99 o 1 5 4 67.10 111.98 15.13 o 2 5 4 493.19 406.46 32.90 o 3 5 4 3298.36 3412.18 81.19 o 4 5 4 3205.33 3227.51 68.64 o 5 5 4 2625.62 2544.35 88.17 o 0 6 4 9227.54 9737.37 292.17 o 1 6 4 3083.68 3220.79 88.24 o 2 6 4 1937.99 1893.24 48.43 o 3 6 4 320.60 258.19 24.21 o 4 6 4 286.37 246.72 33.67 o 5 6 4 1727.13 1366.66 79.87 o 1 7 4 195.68 167.67 24.64 o 2 7 4 6837.87 7280.51 262.21 o 3 7 4 755.64 600.06 50.49 o 4 7 4 5126.72 4526.38 153.52 o 5 7 4 121.42 78.54 56.53 o 0 8 4 964.74 684.49 68.18 o 1 8 4 1024.42 865.38 62.20 o 2 8 4 1590.66 1282.27 116.24 o 3 8 4 119.61 121.84 159.74 o 0 0 5 2946.48 2677.96 131.98 o 1 1 5 58.86 110.05 18.62 o 0 2 5 4390.71 4391.49 116.11 o 1 2 5 9791.70 10651.23 139.78 o 2 2 5 794.40 737.38 64.54 o 1 3 5 239.00 165.28 22.07 o 2 3 5 102.07 114.97 17.55 o 3 3 5 5311.58 5478.27 104.20 o 0 4 5 18.50 108.49 26.03 o 1 4 5 6110.95 6469.47 138.68 o 2 4 5 61.95 96.70 19.84 o 3 4 5 168.25 186.72 27.15 o 4 4 5 911.25 688.76 55.37 o 1 5 5 2227.06 2172.17 78.44 o 2 5 5 4303.50 4300.25 212.91 o 3 5 5 4304.37 4878.41 135.93 o 4 5 5 2345.36 2230.71 66.64 o 0 6 5 3998.57 4184.50 101.46 o 1 6 5 20.99 99.70 25.63 o 2 6 5 2198.35 2048.39 57.51 o 3 6 5 427.57 194.81 47.85 o 1 7 5 50.04 37.89 54.23 o 0 0 6 13549.26 14414.96 266.66 o 1 1 6 614.09 454.00 40.99 o 0 2 6 1852.36 1649.35 116.00 o 1 2 6 1210.74 844.78 38.71 o 2 2 6 1037.46 614.65 68.03 o 1 3 6 2648.42 2349.38 108.53 o 2 3 6 841.47 481.36 37.70 o 3 3 6 5903.96 5208.04 235.67 o 0 4 6 1634.75 1281.08 83.83 o 1 4 6 3571.84 3447.19 186.29 o