# generated using pymatgen data_B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.11640528 _cell_length_b 10.11640569 _cell_length_c 10.11640528 _cell_angle_alpha 65.53338970 _cell_angle_beta 65.53338359 _cell_angle_gamma 65.53338965 _symmetry_Int_Tables_number 1 _chemical_formula_structural B _chemical_formula_sum B105 _cell_volume 820.12931093 _cell_formula_units_Z 105 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.41910890 0.90447150 0.63551629 1.0 B B1 1 0.90447150 0.63551629 0.41910890 1.0 B B2 1 0.63551629 0.41910890 0.90447150 1.0 B B3 1 0.90447064 0.41910880 0.63551835 1.0 B B4 1 0.41910880 0.63551835 0.90447064 1.0 B B5 1 0.63551835 0.90447064 0.41910880 1.0 B B6 1 0.58089110 0.09552850 0.36448371 1.0 B B7 1 0.09552850 0.36448371 0.58089110 1.0 B B8 1 0.36448371 0.58089110 0.09552850 1.0 B B9 1 0.09552936 0.58089120 0.36448165 1.0 B B10 1 0.58089120 0.36448165 0.09552936 1.0 B B11 1 0.36448165 0.09552936 0.58089120 1.0 B B12 1 0.60653087 0.60653087 0.60653087 1.0 B B13 1 0.39346913 0.39346913 0.39346913 1.0 B B14 1 0.10646312 0.49313675 0.10645183 1.0 B B15 1 0.49313675 0.10645183 0.10646312 1.0 B B16 1 0.10645183 0.10646312 0.49313675 1.0 B B17 1 0.89353688 0.50686325 0.89354817 1.0 B B18 1 0.50686325 0.89354817 0.89353688 1.0 B B19 1 0.89354817 0.89353688 0.50686325 1.0 B B20 1 0.63909153 0.00399349 0.82341244 1.0 B B21 1 0.00399349 0.82341244 0.63909153 1.0 B B22 1 0.82341244 0.63909153 0.00399349 1.0 B B23 1 0.00399368 0.63907921 0.82341684 1.0 B B24 1 0.63907921 0.82341684 0.00399268 1.0 B B25 1 0.82341684 0.00399368 0.63907921 1.0 B B26 1 0.36090747 0.99600651 0.17658756 1.0 B B27 1 0.99600651 0.17658756 0.36090847 1.0 B B28 1 0.17658756 0.36090747 0.99600651 1.0 B B29 1 0.99600632 0.36092079 0.17658316 1.0 B B30 1 0.36092079 0.17658316 0.99600732 1.0 B B31 1 0.17658316 0.99600632 0.36092079 1.0 B B32 1 0.79912988 0.31430329 0.79913235 1.0 B B33 1 0.31430329 0.79913235 0.79912988 1.0 B B34 1 0.79913235 0.79912988 0.31430329 1.0 B B35 1 0.20087012 0.68569671 0.20086765 1.0 B B36 1 0.68569671 0.20086765 0.20087012 1.0 B B37 1 0.20086765 0.20087012 0.68569671 1.0 B B38 1 0.50949875 0.78550839 0.50949847 1.0 B B39 1 0.78550839 0.50949847 0.50949875 1.0 B B40 1 0.50949847 0.50949875 0.78550839 1.0 B B41 1 0.49050125 0.21449161 0.49050153 1.0 B B42 1 0.21449161 0.49050153 0.49050125 1.0 B B43 1 0.49050153 0.49050125 0.21449161 1.0 B B44 1 0.61234967 0.78353506 0.61234902 1.0 B B45 1 0.78353506 0.61234902 0.61234967 1.0 B B46 1 0.61234902 0.61234967 0.78353506 1.0 B B47 1 0.38765033 0.21646494 0.38765098 1.0 B B48 1 0.21646494 0.38765098 0.38765033 1.0 B B49 1 0.38765098 0.38765033 0.21646494 1.0 B B50 1 0.54628019 0.17859103 0.88710357 1.0 B B51 1 0.17859103 0.88710357 0.54628019 1.0 B B52 1 0.88710357 0.54628019 0.17859203 1.0 B B53 1 0.17859913 0.54627027 0.88710596 1.0 B B54 1 0.54627027 0.88710596 0.17859913 1.0 B B55 1 0.88710596 0.17859913 0.54627027 1.0 B B56 1 0.45371981 0.82140897 0.11289643 1.0 B B57 1 0.82140897 0.11289643 0.45371981 1.0 B B58 1 0.11289643 0.45371981 0.82140797 1.0 B B59 1 0.82140087 0.45372973 0.11289404 1.0 B B60 1 0.45372973 0.11289404 0.82140087 1.0 B B61 1 0.11289404 0.82140087 0.45372973 1.0 B B62 1 0.89908317 0.16465533 0.89909130 1.0 B B63 1 0.16465533 0.89909130 0.89908317 1.0 B B64 1 0.89909130 0.89908317 0.16465533 1.0 B B65 1 0.10091683 0.83534467 0.10090870 1.0 B B66 1 0.83534467 0.10090870 0.10091683 1.0 B B67 1 0.10090870 0.10091683 0.83534467 1.0 B B68 1 0.20292492 0.50478723 0.20292292 1.0 B B69 1 0.50478723 0.20292292 0.20292492 1.0 B B70 1 0.20292292 0.20292492 0.50478723 1.0 B B71 1 0.79707508 0.49521277 0.79707708 1.0 B B72 1 0.49521277 0.79707708 0.79707508 1.0 B B73 1 0.79707708 0.79707508 0.49521277 1.0 B B74 1 0.32453172 0.80069858 0.62153018 1.0 B B75 1 0.80069858 0.62153018 0.32453172 1.0 B B76 1 0.62153018 0.32453172 0.80069858 1.0 B B77 1 0.80069729 0.32453188 0.62153127 1.0 B B78 1 0.32453188 0.62153127 0.80069729 1.0 B B79 1 0.62153127 0.80069729 0.32453188 1.0 B B80 1 0.67546828 0.19930142 0.37846982 1.0 B B81 1 0.19930142 0.37846982 0.67546828 1.0 B B82 1 0.37846982 0.67546828 0.19930142 1.0 B B83 1 0.19930271 0.67546812 0.37846873 1.0 B B84 1 0.67546812 0.37846873 0.19930271 1.0 B B85 1 0.37846873 0.19930271 0.67546812 1.0 B B86 1 0.00061758 0.16230225 0.00062808 1.0 B B87 1 0.16230225 0.00062808 0.00061758 1.0 B B88 1 0.00062808 0.00061758 0.16230225 1.0 B B89 1 0.99938242 0.83769775 0.99937192 1.0 B B90 1 0.83769775 0.99937192 0.99938242 1.0 B B91 1 0.99937192 0.99938242 0.83769775 1.0 B B92 1 0.00359431 0.33600489 0.00359844 1.0 B B93 1 0.33600489 0.00359844 0.00359431 1.0 B B94 1 0.00359844 0.00359431 0.33600489 1.0 B B95 1 0.99640569 0.66399511 0.99640156 1.0 B B96 1 0.66399511 0.99640156 0.99640569 1.0 B B97 1 0.99640156 0.99640569 0.66399511 1.0 B B98 1 0.50000000 0.50000000 0.50000000 1.0 B B99 1 0.82001784 0.97964330 0.81998435 1.0 B B100 1 0.97964330 0.81998435 0.82001784 1.0 B B101 1 0.81998435 0.82001784 0.97964330 1.0 B B102 1 0.17998216 0.02035670 0.18001565 1.0 B B103 1 0.02035670 0.18001565 0.17998216 1.0 B B104 1 0.18001565 0.17998216 0.02035670 1.0