# generated using pymatgen data_B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92026460 _cell_length_b 8.84945082 _cell_length_c 8.84945082 _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 B50 _cell_volume 385.31959825 _cell_formula_units_Z 50 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 0.75000000 0.25000000 0.75000000 1.0 B B1 1 0.25000000 0.75000000 0.25000000 1.0 B B2 1 0.64257439 0.37879101 0.87879101 1.0 B B3 1 0.14257439 0.62120899 0.37879101 1.0 B B4 1 0.14257439 0.87879101 0.12120899 1.0 B B5 1 0.64257439 0.12120899 0.62120899 1.0 B B6 1 0.85742561 0.37879101 0.62120899 1.0 B B7 1 0.85742561 0.12120899 0.87879101 1.0 B B8 1 0.35742561 0.87879101 0.37879101 1.0 B B9 1 0.35742561 0.62120899 0.12120899 1.0 B B10 1 0.82429402 0.49577399 0.99577399 1.0 B B11 1 0.32429402 0.50422601 0.49577399 1.0 B B12 1 0.32429402 0.99577399 0.00422601 1.0 B B13 1 0.82429402 0.00422601 0.50422601 1.0 B B14 1 0.67570598 0.49577399 0.50422601 1.0 B B15 1 0.67570598 0.00422601 0.99577399 1.0 B B16 1 0.17570598 0.99577399 0.49577399 1.0 B B17 1 0.17570598 0.50422601 0.00422601 1.0 B B18 1 0.65567759 0.57997093 0.83594831 1.0 B B19 1 0.15567759 0.66405169 0.57997093 1.0 B B20 1 0.15567759 0.83594831 0.92002907 1.0 B B21 1 0.65567759 0.92002907 0.66405169 1.0 B B22 1 0.84432241 0.57997093 0.66405169 1.0 B B23 1 0.84432241 0.92002907 0.83594831 1.0 B B24 1 0.34432241 0.83594831 0.57997093 1.0 B B25 1 0.34432241 0.66405169 0.92002907 1.0 B B26 1 0.34432241 0.42002907 0.16405169 1.0 B B27 1 0.84432241 0.33594831 0.42002907 1.0 B B28 1 0.84432241 0.16405169 0.07997093 1.0 B B29 1 0.34432241 0.07997093 0.33594831 1.0 B B30 1 0.15567759 0.42002907 0.33594831 1.0 B B31 1 0.15567759 0.07997093 0.16405169 1.0 B B32 1 0.65567759 0.16405169 0.42002907 1.0 B B33 1 0.65567759 0.33594831 0.07997093 1.0 B B34 1 0.33773820 0.47817988 0.83265032 1.0 B B35 1 0.83773820 0.66734968 0.47817988 1.0 B B36 1 0.83773820 0.83265032 0.02182012 1.0 B B37 1 0.33773820 0.02182012 0.66734968 1.0 B B38 1 0.16226180 0.47817988 0.66734968 1.0 B B39 1 0.16226180 0.02182012 0.83265032 1.0 B B40 1 0.66226180 0.83265032 0.47817988 1.0 B B41 1 0.66226180 0.66734968 0.02182012 1.0 B B42 1 0.66226180 0.52182012 0.16734968 1.0 B B43 1 0.16226180 0.33265032 0.52182012 1.0 B B44 1 0.16226180 0.16734968 0.97817988 1.0 B B45 1 0.66226180 0.97817988 0.33265032 1.0 B B46 1 0.83773820 0.52182012 0.33265032 1.0 B B47 1 0.83773820 0.97817988 0.16734968 1.0 B B48 1 0.33773820 0.16734968 0.52182012 1.0 B B49 1 0.33773820 0.33265032 0.97817988 1.0