data_1529489 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 9.55299(24) _cell_length_b 9.55299(24) _cell_length_c 7.21426(23) _cod_data_source_file La5Si2BO13.fcf _cod_data_source_block a _shelx_f_squared_multiplier 1 loop_ _symmetry_equiv_pos_as_xyz '-x, -y, -z' '-x, -y, z+1/2' '-x+y, -x, -z+1/2' '-x+y, -x, z' '-y, x-y, -z+1/2' '-y, x-y, z' 'y, -x+y, -z' 'y, -x+y, z+1/2' 'x-y, x, -z' 'x-y, x, z+1/2' 'x, y, -z+1/2' 'x, y, z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc 0 1 0 4.38 4.25 180.00000 0 1 1 4.10 3.97 180.00000 1 1 0 1.07 1.07 180.00000 0 2 0 8.48 8.69 180.00000 1 1 1 18.87 19.20 0.00000 0 0 2 98.24 95.76 180.00000 0 2 1 5.57 5.32 180.00000 0 1 2 19.22 17.99 180.00000 2 1 0 26.48 25.43 180.00000 1 2 0 0.07 0.06 0.00000 1 1 2 52.87 50.86 0.00000 2 1 1 272.99 266.29 180.00000 1 2 1 89.80 87.59 180.00000 0 3 0 195.04 189.42 0.00000 0 2 2 214.68 210.33 180.00000 0 3 1 29.50 29.17 180.00000 2 2 0 1.51 1.44 0.00000 2 1 2 146.40 141.51 180.00000 1 2 2 78.34 75.73 0.00000 0 1 3 23.56 23.05 180.00000 3 1 0 84.43 85.69 180.00000 1 3 0 516.12 523.82 0.00000 2 2 1 16.02 16.28 180.00000 0 3 2 100.63 99.81 0.00000 3 1 1 125.90 125.25 180.00000 1 3 1 13.63 13.56 0.00000 1 1 3 183.95 172.23 0.00000 0 2 3 179.37 176.32 180.00000 0 4 0 2.40 2.42 0.00000 2 2 2 396.16 393.38 0.00000 0 4 1 0.96 0.94 0.00000 3 1 2 110.91 114.75 180.00000 1 3 2 251.89 260.61 180.00000 2 1 3 433.59 431.44 0.00000 1 2 3 129.37 128.73 0.00000 3 2 0 1.50 1.59 180.00000 2 3 0 69.46 73.57 180.00000 3 2 1 163.12 164.53 0.00000 2 3 1 96.11 96.94 0.00000 0 3 3 52.10 53.82 0.00000 4 1 0 182.73 190.15 0.00000 1 4 0 106.15 110.46 0.00000 0 0 4 346.29 357.68 0.00000 0 4 2 216.49 218.52 180.00000 0 1 4 19.13 19.26 180.00000 4 1 1 25.82 26.68 0.00000 1 4 1 0.03 0.03 180.00000 2 2 3 14.08 14.28 180.00000 1 1 4 56.85 59.96 0.00000 3 2 2 200.78 205.18 180.00000 2 3 2 22.71 23.21 180.00000 3 1 3 126.39 133.91 180.00000 1 3 3 11.81 12.52 180.00000 0 5 0 2.03 2.13 180.00000 0 2 4 8.54 8.92 0.00000 4 1 2 2.47 2.55 180.00000 1 4 2 40.96 42.36 180.00000 0 5 1 149.06 152.66 180.00000 3 3 0 5.63 5.62 0.00000 0 4 3 18.79 19.85 180.00000 4 2 0 8.27 8.81 0.00000 2 4 0 102.06 108.77 180.00000 2 1 4 0.28 0.30 0.00000 1 2 4 158.40 168.88 180.00000 3 3 1 144.57 152.52 0.00000 4 2 1 7.72 7.29 180.00000 2 4 1 24.67 23.31 180.00000 0 3 4 92.29 91.46 0.00000 0 5 2 357.25 354.87 180.00000 3 2 3 256.06 262.98 180.00000 2 3 3 34.40 35.33 0.00000 5 1 0 8.89 9.01 180.00000 1 5 0 16.46 16.69 0.00000 3 3 2 19.44 20.05 0.00000 1 5 1 2.01 2.06 180.00000 5 1 1 133.92 137.17 180.00000 1 4 3 79.48 79.16 180.00000 4 1 3 76.54 76.23 180.00000 2 2 4 2.43 2.47 180.00000 4 2 2 119.74 123.09 0.00000 2 4 2 1.79 1.84 0.00000 0 1 5 8.84 8.86 180.00000 3 1 4 1.65 1.70 180.00000 1 3 4 128.34 131.92 0.00000 1 1 5 56.02 55.28 0.00000 0 6 0 22.21 22.01 0.00000 5 1 2 103.94 101.87 0.00000 1 5 2 124.25 121.77 180.00000 0 5 3 53.03 54.29 180.00000 0 2 5 23.99 24.50 180.00000 4 3 0 43.10 43.71 180.00000 3 4 0 4.99 5.06 0.00000 0 4 4 23.80 24.11 0.00000 0 6 1 72.00 72.45 0.00000 4 3 1 299.47 302.30 0.00000 3 4 1 36.27 36.62 180.00000 3 3 3 6.28 6.48 0.00000 5 2 0 329.45 331.22 0.00000 2 5 0 132.75 133.47 0.00000 4 2 3 8.80 8.78 0.00000 2 4 3 282.30 281.84 0.00000 2 1 5 178.64 177.88 180.00000 1 2 5 67.37 67.09 180.00000 3 2 4 16.53 16.49 0.00000 2 3 4 25.99 25.92 180.00000 5 2 1 39.09 39.18 180.00000 2 5 1 28.02 28.08 180.00000 0 6 2 0.40 0.38 180.00000 0 3 5 16.89 16.78 180.00000 4 1 4 294.18 288.19 0.00000 1 4 4 403.66 395.44 0.00000 3 4 2 268.09 263.54 180.00000 4 3 2 0.02 0.02 0.00000 1 5 3 46.94 47.03 180.00000 5 1 3 133.48 133.72 0.00000 6 1 0 122.48 120.53 180.00000 1 6 0 23.36 22.98 180.00000 5 2 2 5.32 5.46 0.00000 2 5 2 567.09 582.10 0.00000 6 1 1 60.87 62.01 180.00000 1 6 1 111.35 113.44 180.00000 2 2 5 26.93 24.97 180.00000 3 1 5 199.57 197.11 180.00000 1 3 5 12.62 12.46 0.00000 0 5 4 56.26 56.27 0.00000 0 0 6 362.90 352.84 180.00000 0 6 3 0.02 0.02 0.00000 4 4 0 39.23 36.60 0.00000 3 3 4 85.83 80.52 0.00000 6 1 2 0.10 0.09 0.00000 1 6 2 97.17 93.95 0.00000 0 1 6 25.08 24.48 180.00000 4 3 3 707.28 694.70 180.00000 3 4 3 1.42 1.39 180.00000 0 4 5 0.04 0.04 180.00000 5 3 0 14.61 14.62 0.00000 3 5 0 4.16 4.16 0.00000 0 7 0 30.11 30.11 180.00000 4 2 4 176.76 177.52 180.00000 2 4 4 98.36 98.78 180.00000 4 4 1 294.72 300.30 180.00000 5 3 1 12.10 11.67 180.00000 3 5 1 1.60 1.54 180.00000 0 7 1 99.26 95.80 0.00000 1 1 6 280.77 270.66 0.00000 2 5 3 27.77 26.75 0.00000 5 2 3 93.24 89.82 0.00000 0 2 6 17.91 17.53 180.00000 3 2 5 111.74 109.47 0.00000 2 3 5 135.49 132.74 0.00000 6 2 0 18.27 18.12 180.00000 2 6 0 1.72 1.71 0.00000 1 5 4 10.82 10.78 0.00000 5 1 4 203.11 202.27 180.00000 4 4 2 29.21 29.48 180.00000 6 2 1 2.88 2.91 0.00000 2 6 1 68.06 68.86 180.00000 4 1 5 13.92 14.47 0.00000 1 4 5 2.93 3.04 180.00000 5 3 2 444.46 453.12 180.00000 3 5 2 111.96 114.14 180.00000 0 7 2 106.83 108.92 180.00000 2 1 6 2.28 2.32 180.00000 1 2 6 46.00 46.89 180.00000 6 1 3 8.51 8.70 180.00000 1 6 3 182.17 186.14 0.00000 0 3 6 0.72 0.74 180.00000 7 1 0 6.19 6.31 0.00000 1 7 0 71.89 73.27 0.00000 0 6 4 163.59 166.78 0.00000 6 2 2 161.74 165.52 180.00000 2 6 2 1.06 1.08 180.00000 0 5 5 208.32 207.09 180.00000 4 3 4 58.88 58.70 180.00000 3 4 4 47.39 47.25 0.00000 1 7 1 0.94 0.95 0.00000 7 1 1 2.06 2.07 0.00000 2 2 6 191.46 186.58 0.00000 4 4 3 1.21 1.18 180.00000 3 3 5 189.39 184.98 0.00000 5 2 4 209.93 202.55 0.00000 2 5 4 13.38 12.91 180.00000 3 1 6 12.50 12.05 0.00000 1 3 6 1054.40 1016.64 180.00000 5 3 3 41.73 40.79 0.00000 3 5 3 1.90 1.86 0.00000 0 7 3 30.02 29.35 0.00000 4 2 5 4.87 4.78 180.00000 2 4 5 4.16 4.08 180.00000 5 4 0 136.04 135.32 0.00000 4 5 0 1.46 1.45 180.00000 1 7 2 50.21 51.41 180.00000 7 1 2 205.74 210.62 0.00000 5 4 1 10.68 10.94 180.00000 4 5 1 185.34 189.77 0.00000 6 3 0 0.40 0.40 0.00000 3 6 0 33.80 33.47 180.00000 0 4 6 77.57 77.19 180.00000 6 2 3 230.08 230.74 0.00000 2 6 3 55.47 55.63 0.00000 1 5 5 8.38 8.41 180.00000 5 1 5 109.85 110.22 180.00000 0 8 0 153.84 154.38 0.00000 6 1 4 77.54 77.77 180.00000 1 6 4 195.32 195.92 180.00000 6 3 1 163.76 162.83 0.00000 3 6 1 92.40 91.88 0.00000 0 8 1 0.92 0.95 0.00000 0 1 7 0.07 0.07 180.00000 5 4 2 94.51 95.34 180.00000 4 5 2 62.33 62.88 180.00000 3 2 6 35.40 35.69 180.00000 2 3 6 7.87 7.94 0.00000 7 2 0 14.04 14.04 180.00000 2 7 0 3.15 3.15 180.00000 1 1 7 0.05 0.05 180.00000 6 3 2 68.54 69.50 0.00000 3 6 2 100.00 101.41 0.00000 7 2 1 10.18 10.31 0.00000 2 7 1 0.72 0.73 180.00000 4 1 6 2.44 2.47 180.00000 1 4 6 1.74 1.76 0.00000 0 2 7 1.38 1.39 180.00000 7 1 3 11.30 11.16 180.00000 1 7 3 189.94 187.67 180.00000 0 6 5 77.83 77.00 0.00000 4 4 4 260.34 259.81 0.00000 0 8 2 305.16 305.38 180.00000 3 4 5 45.24 44.31 180.00000 4 3 5 187.43 183.59 0.00000 5 3 4 132.33 130.95 0.00000 3 5 4 10.37 10.26 0.00000 0 7 4 0.59 0.58 0.00000 1 2 7 65.55 65.02 0.00000 2 1 7 196.63 195.03 0.00000 5 2 5 24.17 23.83 180.00000 2 5 5 23.22 22.90 180.00000 7 2 2 2.78 2.76 180.00000 2 7 2 137.55 136.45 180.00000 0 5 6 32.25 32.03 180.00000 5 4 3 3.11 3.09 0.00000 4 5 3 50.24 50.01 180.00000 8 1 0 108.82 108.77 0.00000 1 8 0 2.02 2.02 180.00000 6 2 4 10.19 10.19 0.00000 2 6 4 18.21 18.21 180.00000 0 3 7 18.32 18.13 0.00000 8 1 1 4.76 4.59 180.00000 1 8 1 96.01 92.56 180.00000 3 3 6 119.84 115.71 0.00000 6 3 3 10.22 10.20 180.00000 3 6 3 59.22 59.08 0.00000 5 5 0 198.74 200.89 0.00000 2 4 6 31.60 32.15 0.00000 4 2 6 76.91 78.25 180.00000 0 8 3 17.92 18.14 180.00000 6 1 5 77.11 78.12 180.00000 1 6 5 66.50 67.38 180.00000 6 4 0 24.10 24.50 0.00000 4 6 0 28.25 28.71 180.00000 5 5 1 62.17 63.45 180.00000 2 2 7 2.26 2.31 0.00000 6 4 1 0.43 0.44 0.00000 4 6 1 93.10 95.01 0.00000 1 3 7 9.01 9.09 180.00000 3 1 7 12.92 13.02 0.00000 1 7 4 315.91 313.37 0.00000 7 1 4 0.01 0.01 180.00000 8 1 2 3.85 3.85 0.00000 1 8 2 177.96 177.85 180.00000 5 1 6 4.06 4.06 180.00000 1 5 6 114.90 114.72 180.00000 7 2 3 0.00 0.00 180.00000 2 7 3 46.80 45.64 180.00000