data_Co12P7_at_15GPa _shelx_title ' cr12 p7' _shelx_refln_list_code 4 _shelx_F_calc_maximum 157.19 _exptl_crystal_F_000 429.00 _reflns_d_resolution_high 0.6566 loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'x, y, -z' '-y, x-y, -z' '-x+y, -x, -z' _cell_length_a 8.2530 _cell_length_b 8.2530 _cell_length_c 3.2902 _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 -4 6 0 796.23 738.50 44.80 o -5 8 0 263.31 417.31 47.60 o -6 9 0 1095.60 1381.43 60.97 o -6 10 0 61.73 41.46 30.95 o -7 11 0 2312.88 2266.00 78.44 o -2 11 0 635.95 538.84 36.53 o -7 12 0 123.40 61.15 38.44 o -1 1 1 1403.94 1446.55 55.15 o 0 1 1 1458.67 1434.04 54.56 o 1 1 1 416.79 389.34 24.08 o -3 2 1 7983.29 8197.07 118.12 o -2 2 1 308.13 323.18 24.63 o -1 2 1 411.52 405.04 26.55 o 0 2 1 296.98 278.47 27.30 o 1 2 1 24471.85 24190.97 206.23 o 2 2 1 5416.84 5028.57 117.15 o -5 3 1 942.58 866.12 55.52 o -4 3 1 1087.28 1124.73 55.13 o -3 3 1 10987.67 11237.16 146.52 o -2 3 1 24708.17 24638.27 213.32 o -1 3 1 8036.98 7792.55 116.22 o 1 3 1 3028.79 2850.98 79.03 o 2 3 1 12.12 35.44 23.52 o 3 3 1 677.27 643.28 74.82 o -5 4 1 7.85 7.79 29.55 o -4 4 1 1661.91 1499.58 83.83 o -3 4 1 2952.61 2933.05 97.94 o -2 4 1 5367.89 4991.68 114.90 o -1 4 1 1100.49 1038.87 52.47 o 0 4 1 1679.74 1469.88 109.94 o 1 4 1 16.53 14.78 25.41 o 2 4 1 1333.67 1184.70 85.34 o 3 4 1 2015.91 2025.66 118.41 o -6 5 1 4089.09 4277.26 154.02 o -5 5 1 679.02 727.93 59.64 o -3 5 1 18.15 20.89 20.25 o -2 5 1 900.95 876.90 53.94 o -1 5 1 3.97 3.68 23.24 o 1 5 1 768.59 648.01 62.67 o -6 6 1 302.24 362.48 50.37 o -5 6 1 647.85 699.67 53.16 o -4 6 1 1273.45 1399.20 85.84 o -3 6 1 620.51 707.44 53.33 o -2 6 1 2808.90 2820.40 128.68 o -1 6 1 4084.07 4232.67 150.36 o 1 6 1 199.56 206.43 42.74 o 2 6 1 270.55 249.96 40.72 o -7 7 1 472.63 542.33 56.74 o -6 7 1 179.29 184.71 31.23 o -4 7 1 2113.26 2166.28 110.64 o -3 7 1 1729.37 1727.67 82.70 o -2 7 1 48.91 188.92 97.14 o -1 7 1 18.30 -42.82 42.82 o 0 7 1 469.10 575.05 60.53 o 1 7 1 1063.02 972.17 66.92 o -7 8 1 1170.70 1086.35 59.76 o -5 8 1 1274.04 1295.46 85.90 o -4 8 1 732.50 708.11 81.27 o -3 8 1 586.94 598.01 60.29 o -2 8 1 748.71 724.85 65.55 o 0 8 1 1033.31 1199.09 91.99 o 1 8 1 547.33 459.40 46.96 o -7 9 1 172.33 160.47 26.42 o -5 9 1 246.01 158.09 50.47 o -4 9 1 869.83 731.67 97.54 o -3 9 1 2718.37 2867.92 152.03 o -2 9 1 64.35 31.04 43.20 o 0 9 1 1454.06 1343.53 79.07 o -6 10 1 111.73 202.86 51.19 o -5 10 1 425.45 662.78 94.80 o -4 10 1 2119.20 2664.52 205.88 o -3 10 1 220.91 324.30 57.70 o -2 10 1 269.76 287.53 59.67 o 0 10 1 334.63 244.35 30.94 o -7 11 1 428.19 289.88 41.88 o -6 11 1 56.79 87.97 35.68 o -5 11 1 339.53 294.66 67.11 o -4 11 1 167.00 121.40 39.14 o -3 11 1 385.42 483.01 73.49 o -7 12 1 337.21 223.98 42.37 o -6 12 1 948.98 733.94 99.28 o -4 12 1 236.90 298.01 67.31 o -1 1 2 8.97 -10.75 31.04 o 0 1 2 8.39 -14.60 31.00 o 1 1 2 169.74 147.43 30.06 o -3 2 2 12.86 -10.57 27.93 o -2 2 2 10.32 -1.67 31.82 o -1 2 2 174.77 163.27 33.61 o 0 2 2 9.47 1.83 30.35 o 1 2 2 378.04 289.44 37.49 o 2 2 2 4670.06 4667.69 124.84 o -5 3 2 1330.21 1417.08 70.00 o -4 3 2 456.11 410.83 42.14 o -3 3 2 768.45 746.03 88.80 o -2 3 2 364.31 272.34 43.04 o -1 3 2 10.55 23.96 22.29 o 0 3 2 775.52 743.98 67.57 o 1 3 2 8952.42 8764.50 175.85 o 2 3 2 517.83 497.74 45.82 o 3 3 2 150.62 149.17 36.40 o -7 4 2 183.16 196.46 63.69 o -6 4 2 2833.42 2971.77 108.92 o -5 4 2 10205.91 10817.95 194.39 o -4 4 2 2141.15 2408.63 93.53 o -3 4 2 8988.23 9190.40 216.72 o -2 4 2 4700.74 4876.82 129.50 o -1 4 2 437.56 432.58 40.84 o 0 4 2 2156.67 2175.28 101.65 o 1 4 2 504.29 505.82 49.35 o 2 4 2 373.34 363.01 59.72 o 3 4 2 1298.88 1272.45 122.32 o 4 4 2 67.34 -9.28 49.52 o -9 5 2 2020.87 1937.29 148.32 o -8 5 2 840.57 801.70 76.71 o -7 5 2 2284.61 2514.30 221.83 o -6 5 2 2262.42 2405.61 101.62 o -5 5 2 597.68 665.53 54.77 o -4 5 2 488.29 506.93 62.14 o -3 5 2 477.17 481.51 49.80 o -2 5 2 1347.77 1421.22 73.51 o -1 5 2 10202.28 9973.92 225.87 o 0 5 2 599.81 4291.13 4290.43 o 1 5 2 805.20 779.79 96.10 o 2 5 2 3026.13 2840.39 174.16 o 3 5 2 229.66 187.29 61.96 o 4 5 2 482.12 525.45 98.61 o 5 5 2 374.79 244.50 81.80 o -8 6 2 624.40 677.74 69.19 o -7 6 2 812.58 1016.22 80.34 o -6 6 2 791.16 934.67 76.16 o -5 6 2 795.32 862.36 89.64 o -4 6 2 517.88 517.75 73.17 o -3 6 2 175.20 126.46 28.80 o -2 6 2 2803.73 2798.08 101.37 o -1 6 2 2231.23 2400.78 120.26 o 0 6 2 805.42 694.13 101.76 o 1 6 2 53.14 111.23 41.20 o 2 6 2 511.69 481.77 86.73 o 3 6 2 941.21 696.88 90.67 o 4 6 2 47.68 17.61 58.58 o -9 7 2 414.71 546.85 105.24 o -8 7 2 1069.25 1357.24 115.80 o -7 7 2 659.60 619.03 82.48 o -6 7 2 75.46 36.86 52.78 o -5 7 2 2993.65 2948.34 218.67 o -4 7 2 1275.01 1468.33 92.31 o -3 7 2 191.99 145.69 53.21 o -2 7 2 2329.75 2662.35 124.56 o -1 7 2 791.16 721.96 108.78 o 0 7 2 608.45 894.30 133.15 o 1 7 2 313.68 192.83 78.70 o 2 7 2 555.18 471.33 74.91 o 3 7 2 950.67 822.54 99.25 o 4 7 2 1715.63 1406.44 126.71 o -9 8 2 28.81 68.19 74.42 o -8 8 2 2046.73 2263.50 132.04 o -7 8 2 314.09 295.93 54.88 o -6 8 2 511.03 522.85 103.88 o -5 8 2 192.03 141.48 38.15 o -4 8 2 67.51 107.00 45.00 o -3 8 2 893.76 829.05 73.48 o -2 8 2 594.50 765.38 83.47 o -1 8 2 1126.56 1129.01 156.10 o 1 8 2 90.34 -53.25 65.11 o 2 8 2 655.03 683.13 96.87 o 3 8 2 583.72 499.16 84.40 o -9 9 2 69.20 78.22 53.23 o -8 9 2 94.83 193.08 48.57 o -6 9 2 759.26 813.33 141.69 o -5 9 2 446.34 476.19 67.13 o -4 9 2 1999.98 2420.52 235.44 o -3 9 2 670.11 753.12 139.72 o -2 9 2 391.37 512.40 68.44 o 1 9 2 685.02 785.74 111.23 o -9 10 2 695.24 535.17 69.15 o -6 10 2 46.76 111.59 75.61 o -5 10 2 375.62 340.94 61.20 o -4 10 2 84.84 65.12 44.40 o -3 10 2 113.57 194.11 70.23 o -6 11 2 13.59 66.91 51.51 o -5 11 2 741.64 545.23 149.46 o -4 11 2 115.06 47.07 53.78 o -3 11 2 148.21 387.80 75.79 o 1 1 3 114.25 -5.43 67.91 o -3 2 3 2823.95 2763.46 186.53 o -2 2 3 114.84 139.74 49.06 o -1 2 3 111.10 -26.24 60.90 o 0 2 3 112.16 27.39 45.00 o 1 2 3 8264.00 8136.11 253.67 o 2 2 3 2073.82 2205.33 133.05 o -5 3 3 393.57 446.69 56.59 o -4 3 3 427.89 531.19 62.72 o -3 3 3 3925.97 3996.24 176.47 o -2 3 3 8406.78 7955.15 249.14 o -1 3 3 2847.55 2731.34 279.10 o 0 3 3 3902.44 4000.97 179.30 o 1 3 3 1298.72 1400.70 111.22 o 2 3 3 3.65 33.08 39.42 o 3 3 3 294.64 307.54 50.79 o -7 4 3 790.25 808.28 78.83 o -6 4 3 1262.37 1160.12 83.10 o -5 4 3 5.86 6.05 43.07 o -4 4 3 619.69 721.79 83.18 o -3 4 3 1241.07 1319.95 102.72 o -2 4 3 2043.92 2098.52 137.89 o -1 4 3 435.61 551.76 79.19 o 0 4 3 627.75 581.63 76.17 o 1 4 3 8.67 66.93 56.67 o 2 4 3 611.86 554.34 61.89 o 3 4 3 1001.17 1114.77 86.50 o 4 4 3 318.75 264.31 83.02 o -9 5 3 382.97 537.31 92.97 o -8 5 3 278.92 292.16 61.02 o -7 5 3 24.73 78.02 47.10 o -6 5 3 1829.65 1968.67 106.92 o -5 5 3 307.26 397.50 63.48 o -4 5 3 10.93 -75.52 75.52 o -3 5 3 7.06 140.71 55.51 o -2 5 3 370.05 402.13 50.45 o -1 5 3 3.11 29.60 51.54 o 0 5 3 378.66 379.36 79.02 o 1 5 3 335.68 344.17 124.47 o 2 5 3 6416.52 6468.89 210.90 o 3 5 3 656.84 561.68 75.89 o 4 5 3 116.15 125.15 66.50 o 5 5 3 287.21 263.29 80.43 o -10 6 3 1278.34 985.06 102.96 o -9 6 3 1553.34 1726.58 134.67 o -8 6 3 390.78 451.25 62.20 o -7 6 3 4.96 39.38 43.36 o -6 6 3 131.39 179.71 70.05 o -5 6 3 260.32 435.74 68.16 o -4 6 3 571.54 625.36 90.49 o -3 6 3 257.95 196.98 92.84 o -2 6 3 1186.32 1182.22 91.89 o -1 6 3 1816.30 1851.01 140.35 o 0 6 3 139.90 213.06 79.10 o 1 6 3 92.27 74.04 60.46 o 2 6 3 155.52 177.24 56.20 o 3 6 3 28.56 -79.04 79.04 o 4 6 3 88.45 120.60 105.47 o -9 7 3 35.56 77.51 78.36 o -8 7 3 1719.67 1605.20 104.19 o -7 7 3 233.97 201.44 54.28 o -6 7 3 79.99 175.74 72.00 o -5 7 3 6525.96 7445.36 311.01 o -4 7 3 1069.53 1357.64 129.63 o -3 7 3 780.31 880.08 77.12 o -2 7 3 32.31 42.55 49.84 o -1 7 3 7.76 -71.43 78.98 o 0 7 3 231.55 116.63 72.89 o 1 7 3 524.60 429.90 125.51 o 2 7 3 60.59 199.21 115.20 o -9 8 3 538.22 646.30 237.48 o -8 8 3 488.55 494.44 67.63 o -7 8 3 591.54 490.35 175.16 o -6 8 3 167.93 235.61 82.64 o -5 8 3 647.11 724.88 102.08 o -4 8 3 344.17 206.39 58.58 o -3 8 3 280.20 328.59 62.18 o -2 8 3 393.26 491.69 125.01 o -1 8 3 1713.48 1276.28 183.04 o 0 8 3 584.59 301.69 129.44 o 1 8 3 322.93 139.73 119.35 o -7 9 3 84.97 149.87 90.53 o -6 9 3 31.24 119.40 92.30 o -5 9 3 136.63 16.28 106.11 o -4 9 3 440.14 432.98 156.14 o -3 9 3 1471.54 1781.89 410.02 o -2 9 3 30.16 195.64 115.76 o -1 9 3 527.13 436.27 150.16 o -6 10 3 59.78 271.81 98.22 o -5 10 3 265.11 196.58 110.27 o -4 10 3 1283.55 1311.14 440.91 o -3 2 4 9.60 138.46 117.01 o 1 2 4 98.14 -43.40 114.42 o 2 2 4 1590.28 1689.54 217.24 o -5 3 4 424.90 341.20 68.66 o -4 3 4 140.63 155.92 67.44 o -3 3 4 253.17 266.55 73.78 o -2 3 4 103.75 -139.89 139.89 o -1 3 4 7.80 -65.47 124.66 o 0 3 4 256.19 280.50 138.30 o 1 3 4 2830.01 2810.58 193.20 o 2 3 4 159.91 71.55 73.52 o 3 3 4 74.93 66.73 68.16 o -7 4 4 91.21 20.44 76.27 o -6 4 4 1050.23 1137.94 111.90 o -5 4 4 3571.90 3804.32 376.62 o -4 4 4 683.08 618.51 101.82 o -3 4 4 2843.43 2516.41 185.56 o -2 4 4 1605.67 1327.88 187.91 o -1 4 4 132.16 131.39 109.45 o 0 4 4 690.50 705.23 106.25 o 1 4 4 173.13 173.23 110.41 o 2 4 4 96.84 139.62 114.51 o 3 4 4 528.99 512.64 95.23 o -7 5 4 880.01 906.70 98.96 o -6 5 4 907.50 881.09 124.15 o -5 5 4 217.60 175.68 77.51 o -4 5 4 164.27 135.55 129.66 o -3 5 4 142.00 270.88 174.07 o -2 5 4 432.68 670.74 161.04 o -1 5 4 3571.16 3703.80 321.47 o 0 5 4 217.40 268.83 96.84 o 1 5 4 321.83 478.37 113.68 o 2 5 4 1267.95 1239.35 146.20 o -7 6 4 348.50 385.30 96.96 o -6 6 4 310.16 350.03 130.01 o -5 6 4 318.78 399.22 110.06 o -4 6 4 161.96 207.26 97.03 o -3 6 4 89.08 153.40 151.62 o -2 6 4 1039.27 1031.24 195.66 o -1 6 4 886.27 991.21 379.53 o 0 6 4 316.03 405.47 123.59 o 1 6 4 22.96 15.87 89.74 o -6 7 4 30.94 44.53 99.73 o -5 7 4 1251.27 1699.74 230.22 o -4 7 4 517.58 643.38 151.33 o -3 7 4 95.76 -108.28 164.93 o -1 7 4 338.68 279.03 132.42 o