# generated using pymatgen data_B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00641416 _cell_length_b 8.59448361 _cell_length_c 8.59448361 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B _chemical_formula_sum B48 _cell_volume 369.79952549 _cell_formula_units_Z 48 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 0.90387701 0.41667886 0.82901929 1.0 B B1 1 0.40849269 0.72697027 0.58291706 1.0 B B2 1 0.59150731 0.27302973 0.58291706 1.0 B B3 1 0.61784446 0.87425494 0.12574506 1.0 B B4 1 0.88215554 0.62574506 0.37425494 1.0 B B5 1 0.90387701 0.17098071 0.58332114 1.0 B B6 1 0.59150731 0.72697027 0.41708294 1.0 B B7 1 0.40849269 0.41708294 0.27302973 1.0 B B8 1 0.09612299 0.17098071 0.41667886 1.0 B B9 1 0.40849269 0.27302973 0.41708294 1.0 B B10 1 0.58199038 0.75508536 0.75508536 1.0 B B11 1 0.91800962 0.25508536 0.25508536 1.0 B B12 1 0.40387701 0.08332114 0.32901929 1.0 B B13 1 0.90387701 0.58332114 0.17098071 1.0 B B14 1 0.41800962 0.75508536 0.24491464 1.0 B B15 1 0.90387701 0.82901929 0.41667886 1.0 B B16 1 0.09150731 0.91708294 0.77302973 1.0 B B17 1 0.08199038 0.74491464 0.25508536 1.0 B B18 1 0.90849269 0.77302973 0.08291706 1.0 B B19 1 0.59612299 0.08332114 0.67098071 1.0 B B20 1 0.09150731 0.08291706 0.22697027 1.0 B B21 1 0.40849269 0.58291706 0.72697027 1.0 B B22 1 0.40387701 0.67098071 0.91667886 1.0 B B23 1 0.58199038 0.24491464 0.24491464 1.0 B B24 1 0.90849269 0.22697027 0.91708294 1.0 B B25 1 0.09612299 0.58332114 0.82901929 1.0 B B26 1 0.59612299 0.67098071 0.08332114 1.0 B B27 1 0.88215554 0.37425494 0.62574506 1.0 B B28 1 0.59612299 0.32901929 0.91667886 1.0 B B29 1 0.08199038 0.25508536 0.74491464 1.0 B B30 1 0.38215554 0.12574506 0.12574506 1.0 B B31 1 0.91800962 0.74491464 0.74491464 1.0 B B32 1 0.90849269 0.91708294 0.22697027 1.0 B B33 1 0.90849269 0.08291706 0.77302973 1.0 B B34 1 0.59150731 0.58291706 0.27302973 1.0 B B35 1 0.09150731 0.77302973 0.91708294 1.0 B B36 1 0.09150731 0.22697027 0.08291706 1.0 B B37 1 0.59150731 0.41708294 0.72697027 1.0 B B38 1 0.40387701 0.91667886 0.67098071 1.0 B B39 1 0.09612299 0.82901929 0.58332114 1.0 B B40 1 0.11784446 0.62574506 0.62574506 1.0 B B41 1 0.09612299 0.41667886 0.17098071 1.0 B B42 1 0.41800962 0.24491464 0.75508536 1.0 B B43 1 0.61784446 0.12574506 0.87425494 1.0 B B44 1 0.40387701 0.32901929 0.08332114 1.0 B B45 1 0.11784446 0.37425494 0.37425494 1.0 B B46 1 0.38215554 0.87425494 0.87425494 1.0 B B47 1 0.59612299 0.91667886 0.32901929 1.0