# generated using pymatgen data_B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05030670 _cell_length_b 8.60577013 _cell_length_c 8.60577013 _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 374.02207561 _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 0.36920418 0.88048516 0.38048516 1.0 B B1 1 0.15432241 0.07818614 0.16789804 1.0 B B2 1 0.34181039 0.33186575 0.97809346 1.0 B B3 1 0.34181039 0.02190654 0.66813425 1.0 B B4 1 0.84181039 0.97809346 0.16813425 1.0 B B5 1 0.83487603 0.00432247 0.50432247 1.0 B B6 1 0.84181039 0.83186575 0.02190654 1.0 B B7 1 0.65818961 0.83186575 0.47809346 1.0 B B8 1 0.86920418 0.11951484 0.88048516 1.0 B B9 1 0.75000000 0.75000000 0.25000000 1.0 B B10 1 0.34567759 0.83210196 0.57818614 1.0 B B11 1 0.34567759 0.42181386 0.16789804 1.0 B B12 1 0.34181039 0.16813425 0.52190654 1.0 B B13 1 0.36920418 0.61951484 0.11951484 1.0 B B14 1 0.13079582 0.88048516 0.11951484 1.0 B B15 1 0.15432241 0.66789804 0.57818614 1.0 B B16 1 0.65432241 0.16789804 0.42181386 1.0 B B17 1 0.66512397 0.00432247 0.99567753 1.0 B B18 1 0.65432241 0.57818614 0.83210196 1.0 B B19 1 0.34567759 0.07818614 0.33210196 1.0 B B20 1 0.16512397 0.99567753 0.49567753 1.0 B B21 1 0.15432241 0.42181386 0.33210196 1.0 B B22 1 0.33487603 0.50432247 0.49567753 1.0 B B23 1 0.66512397 0.49567753 0.50432247 1.0 B B24 1 0.33487603 0.99567753 0.00432247 1.0 B B25 1 0.84181039 0.66813425 0.47809346 1.0 B B26 1 0.86920418 0.38048516 0.61951484 1.0 B B27 1 0.83487603 0.49567753 0.99567753 1.0 B B28 1 0.65818961 0.52190654 0.16813425 1.0 B B29 1 0.13079582 0.61951484 0.38048516 1.0 B B30 1 0.84567759 0.33210196 0.42181386 1.0 B B31 1 0.15818961 0.47809346 0.66813425 1.0 B B32 1 0.34181039 0.47809346 0.83186575 1.0 B B33 1 0.15818961 0.02190654 0.83186575 1.0 B B34 1 0.65818961 0.66813425 0.02190654 1.0 B B35 1 0.84567759 0.16789804 0.07818614 1.0 B B36 1 0.15818961 0.16813425 0.97809346 1.0 B B37 1 0.84567759 0.57818614 0.66789804 1.0 B B38 1 0.65432241 0.33210196 0.07818614 1.0 B B39 1 0.63079582 0.38048516 0.88048516 1.0 B B40 1 0.34567759 0.66789804 0.92181386 1.0 B B41 1 0.15818961 0.33186575 0.52190654 1.0 B B42 1 0.65818961 0.97809346 0.33186575 1.0 B B43 1 0.65432241 0.92181386 0.66789804 1.0 B B44 1 0.25000000 0.25000000 0.75000000 1.0 B B45 1 0.84567759 0.92181386 0.83210196 1.0 B B46 1 0.16512397 0.50432247 0.00432247 1.0 B B47 1 0.63079582 0.11951484 0.61951484 1.0 B B48 1 0.15432241 0.83210196 0.92181386 1.0 B B49 1 0.84181039 0.52190654 0.33186575 1.0