# generated using pymatgen data_B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.08982112 _cell_length_b 10.08982478 _cell_length_c 10.08982502 _cell_angle_alpha 65.39704281 _cell_angle_beta 65.39708834 _cell_angle_gamma 65.39706952 _symmetry_Int_Tables_number 1 _chemical_formula_structural B _chemical_formula_sum B105 _cell_volume 811.63431082 _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 0.00285368 0.16311934 0.00285468 1.0 B B1 1 0.00285368 0.00285468 0.16311934 1.0 B B2 1 0.16311734 0.00285468 0.00285468 1.0 B B3 1 0.83688266 0.99714532 0.99714532 1.0 B B4 1 0.99714632 0.83688066 0.99714532 1.0 B B5 1 0.99714632 0.99714532 0.83688066 1.0 B B6 1 0.10006616 0.84087079 0.10006716 1.0 B B7 1 0.10006616 0.10006716 0.84087079 1.0 B B8 1 0.84087179 0.10006616 0.10006616 1.0 B B9 1 0.15912821 0.89993384 0.89993384 1.0 B B10 1 0.89993384 0.15912921 0.89993284 1.0 B B11 1 0.89993384 0.89993284 0.15912921 1.0 B B12 1 0.99553840 0.66231468 0.99553740 1.0 B B13 1 0.99553840 0.99553740 0.66231468 1.0 B B14 1 0.66231468 0.99553740 0.99553740 1.0 B B15 1 0.33768532 0.00446260 0.00446260 1.0 B B16 1 0.00446160 0.33768532 0.00446260 1.0 B B17 1 0.00446160 0.00446260 0.33768532 1.0 B B18 1 0.10400861 0.49047598 0.10400861 1.0 B B19 1 0.10400861 0.10400861 0.49047598 1.0 B B20 1 0.49047598 0.10400861 0.10400861 1.0 B B21 1 0.50952402 0.89599139 0.89599139 1.0 B B22 1 0.89599139 0.50952402 0.89599139 1.0 B B23 1 0.89599139 0.89599139 0.50952402 1.0 B B24 1 0.34784772 0.00387909 0.17617542 1.0 B B25 1 0.17617342 0.34784872 0.00388009 1.0 B B26 1 0.00387909 0.17617342 0.34784972 1.0 B B27 1 0.99612091 0.65215028 0.82382658 1.0 B B28 1 0.82382658 0.99611991 0.65215128 1.0 B B29 1 0.65215228 0.82382458 0.99612091 1.0 B B30 1 0.65215228 0.99612091 0.82382458 1.0 B B31 1 0.82382658 0.65215128 0.99611991 1.0 B B32 1 0.99612091 0.82382658 0.65215028 1.0 B B33 1 0.00387909 0.34784972 0.17617342 1.0 B B34 1 0.17617342 0.00388009 0.34784872 1.0 B B35 1 0.34784772 0.17617542 0.00387909 1.0 B B36 1 0.55106540 0.89493514 0.16598748 1.0 B B37 1 0.16598748 0.55106540 0.89493614 1.0 B B38 1 0.89493514 0.16598748 0.55106540 1.0 B B39 1 0.10506486 0.44893460 0.83401252 1.0 B B40 1 0.83401252 0.10506386 0.44893460 1.0 B B41 1 0.44893460 0.83401252 0.10506486 1.0 B B42 1 0.44893460 0.10506486 0.83401252 1.0 B B43 1 0.83401252 0.44893460 0.10506386 1.0 B B44 1 0.10506486 0.83401252 0.44893460 1.0 B B45 1 0.89493514 0.55106540 0.16598748 1.0 B B46 1 0.16598748 0.89493614 0.55106540 1.0 B B47 1 0.55106540 0.16598748 0.89493514 1.0 B B48 1 0.19898408 0.68653831 0.19898308 1.0 B B49 1 0.19898408 0.19898308 0.68653831 1.0 B B50 1 0.68653931 0.19898308 0.19898308 1.0 B B51 1 0.31346069 0.80101692 0.80101692 1.0 B B52 1 0.80101592 0.31346169 0.80101692 1.0 B B53 1 0.80101592 0.80101692 0.31346169 1.0 B B54 1 0.68401806 0.20036544 0.37589705 1.0 B B55 1 0.37589805 0.68401606 0.20036544 1.0 B B56 1 0.20036544 0.37589805 0.68401706 1.0 B B57 1 0.79963456 0.31598294 0.62410195 1.0 B B58 1 0.62410195 0.79963456 0.31598394 1.0 B B59 1 0.31598194 0.62410295 0.79963456 1.0 B B60 1 0.31598194 0.79963456 0.62410295 1.0 B B61 1 0.62410195 0.31598394 0.79963456 1.0 B B62 1 0.79963456 0.62410195 0.31598294 1.0 B B63 1 0.20036544 0.68401706 0.37589805 1.0 B B64 1 0.37589805 0.20036544 0.68401606 1.0 B B65 1 0.68401806 0.37589705 0.20036544 1.0 B B66 1 0.58019891 0.09595670 0.36350030 1.0 B B67 1 0.36350130 0.58019891 0.09595570 1.0 B B68 1 0.09595670 0.36350030 0.58019891 1.0 B B69 1 0.90404330 0.41980109 0.63649970 1.0 B B70 1 0.63649870 0.90404430 0.41980109 1.0 B B71 1 0.41980109 0.63649970 0.90404330 1.0 B B72 1 0.41980109 0.90404330 0.63649970 1.0 B B73 1 0.63649870 0.41980109 0.90404430 1.0 B B74 1 0.90404330 0.63649970 0.41980109 1.0 B B75 1 0.09595670 0.58019891 0.36350030 1.0 B B76 1 0.36350130 0.09595570 0.58019891 1.0 B B77 1 0.58019891 0.36350030 0.09595670 1.0 B B78 1 0.19914099 0.50556512 0.19914099 1.0 B B79 1 0.19914099 0.19914099 0.50556512 1.0 B B80 1 0.50556412 0.19914099 0.19914099 1.0 B B81 1 0.49443588 0.80085901 0.80085901 1.0 B B82 1 0.80085901 0.49443488 0.80085901 1.0 B B83 1 0.80085901 0.80085901 0.49443488 1.0 B B84 1 0.38473687 0.56737535 0.38473587 1.0 B B85 1 0.38473687 0.38473587 0.56737535 1.0 B B86 1 0.56737635 0.38473587 0.38473587 1.0 B B87 1 0.43262365 0.61526413 0.61526413 1.0 B B88 1 0.61526313 0.43262465 0.61526413 1.0 B B89 1 0.61526313 0.61526413 0.43262465 1.0 B B90 1 0.48923735 0.22112897 0.48923635 1.0 B B91 1 0.48923735 0.48923635 0.22112897 1.0 B B92 1 0.22112897 0.48923635 0.48923635 1.0 B B93 1 0.77887103 0.51076365 0.51076365 1.0 B B94 1 0.51076265 0.77887103 0.51076365 1.0 B B95 1 0.51076265 0.51076365 0.77887103 1.0 B B96 1 0.38137709 0.21367680 0.38137709 1.0 B B97 1 0.38137709 0.38137709 0.21367680 1.0 B B98 1 0.21367680 0.38137709 0.38137709 1.0 B B99 1 0.78632320 0.61862291 0.61862291 1.0 B B100 1 0.61862291 0.78632320 0.61862291 1.0 B B101 1 0.61862291 0.61862291 0.78632320 1.0 B B102 1 0.38475557 0.38475557 0.38475557 1.0 B B103 1 0.61524443 0.61524443 0.61524443 1.0 B B104 1 0.50000000 0.50000000 0.50000000 1.0