# generated using pymatgen data_PaNbB6Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50809718 _cell_length_b 9.04957230 _cell_length_c 11.38704558 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaNbB6Os _chemical_formula_sum 'Pa4 Nb4 B24 Os4' _cell_volume 361.50202063 _cell_formula_units_Z 4 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 0.00000000 0.32222389 0.41221303 1.0 Pa Pa1 1 0.00000000 0.67777611 0.58778697 1.0 Pa Pa2 1 0.00000000 0.82222389 0.08778697 1.0 Pa Pa3 1 0.00000000 0.17777611 0.91221303 1.0 Nb Nb4 1 0.00000000 0.94719687 0.37576347 1.0 Nb Nb5 1 0.00000000 0.05280313 0.62423653 1.0 Nb Nb6 1 0.00000000 0.44719687 0.12423653 1.0 Nb Nb7 1 0.00000000 0.55280313 0.87576347 1.0 B B8 1 0.50000000 0.55236483 0.43460744 1.0 B B9 1 0.50000000 0.44763517 0.56539256 1.0 B B10 1 0.50000000 0.05236483 0.06539256 1.0 B B11 1 0.50000000 0.94763517 0.93460744 1.0 B B12 1 0.50000000 0.75504737 0.42070071 1.0 B B13 1 0.50000000 0.24495263 0.57929929 1.0 B B14 1 0.50000000 0.25504737 0.07929929 1.0 B B15 1 0.50000000 0.74495263 0.92070071 1.0 B B16 1 0.50000000 0.79827780 0.26550449 1.0 B B17 1 0.50000000 0.20172220 0.73449451 1.0 B B18 1 0.50000000 0.29827780 0.23449551 1.0 B B19 1 0.50000000 0.70172220 0.76550549 1.0 B B20 1 0.50000000 0.63082650 0.18111549 1.0 B B21 1 0.50000000 0.36917350 0.81888451 1.0 B B22 1 0.50000000 0.13082650 0.31888451 1.0 B B23 1 0.50000000 0.86917350 0.68111549 1.0 B B24 1 0.50000000 0.97986258 0.21532322 1.0 B B25 1 0.50000000 0.02013742 0.78467678 1.0 B B26 1 0.50000000 0.47986258 0.28467678 1.0 B B27 1 0.50000000 0.52013742 0.71532322 1.0 B B28 1 0.50000000 0.60117366 0.02689614 1.0 B B29 1 0.50000000 0.39882634 0.97310386 1.0 B B30 1 0.50000000 0.10117366 0.47310386 1.0 B B31 1 0.50000000 0.89882634 0.52689614 1.0 Os Os32 1 0.00000000 0.64081184 0.32115569 1.0 Os Os33 1 0.00000000 0.35918816 0.67884431 1.0 Os Os34 1 0.00000000 0.14081184 0.17884431 1.0 Os Os35 1 0.00000000 0.85918816 0.82115569 1.0