# generated using pymatgen data_Pa2NiB10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11229365 _cell_length_b 5.54188764 _cell_length_c 10.97682508 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2NiB10 _chemical_formula_sum 'Pa4 Ni2 B20' _cell_volume 250.16040935 _cell_formula_units_Z 2 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 Pa Pa0 1 0.50000000 0.18844391 0.36190682 1.0 Pa Pa1 1 0.50000000 0.81155609 0.63809318 1.0 Pa Pa2 1 0.50000000 0.31155609 0.86190682 1.0 Pa Pa3 1 0.50000000 0.68844391 0.13809318 1.0 Ni Ni4 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni5 1 0.00000000 0.50000000 0.50000000 1.0 B B6 1 0.00000000 0.37436994 0.03900512 1.0 B B7 1 0.00000000 0.62563006 0.96099488 1.0 B B8 1 0.00000000 0.12563006 0.53900512 1.0 B B9 1 0.00000000 0.87436994 0.46099488 1.0 B B10 1 0.00000000 0.34347269 0.19797469 1.0 B B11 1 0.00000000 0.65652731 0.80202531 1.0 B B12 1 0.00000000 0.15652731 0.69797469 1.0 B B13 1 0.00000000 0.84347269 0.30202531 1.0 B B14 1 0.00000000 0.02960685 0.18749440 1.0 B B15 1 0.00000000 0.97039315 0.81250560 1.0 B B16 1 0.00000000 0.47039315 0.68749440 1.0 B B17 1 0.00000000 0.52960685 0.31250560 1.0 B B18 1 0.30256431 0.19922687 0.11318908 1.0 B B19 1 0.69743569 0.80077313 0.88681092 1.0 B B20 1 0.30256431 0.80077313 0.88681092 1.0 B B21 1 0.69743569 0.30077313 0.61318908 1.0 B B22 1 0.69743569 0.19922687 0.11318908 1.0 B B23 1 0.30256431 0.69922687 0.38681092 1.0 B B24 1 0.69743569 0.69922687 0.38681092 1.0 B B25 1 0.30256431 0.30077313 0.61318908 1.0