# generated using pymatgen data_Pa4B12MoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75669314 _cell_length_b 9.36942537 _cell_length_c 11.49759179 _cell_angle_alpha 89.94310328 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa4B12MoW _chemical_formula_sum 'Pa8 B24 Mo2 W2' _cell_volume 404.69268046 _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 0.00000000 0.33356898 0.40836201 1.0 Pa Pa1 1 0.00000000 0.66643102 0.59163799 1.0 Pa Pa2 1 0.00000000 0.83348359 0.09206300 1.0 Pa Pa3 1 0.00000000 0.16651641 0.90793700 1.0 Pa Pa4 1 0.00000000 0.95291925 0.38674703 1.0 Pa Pa5 1 0.00000000 0.04708075 0.61325297 1.0 Pa Pa6 1 0.00000000 0.45234032 0.11299242 1.0 Pa Pa7 1 0.00000000 0.54765968 0.88700758 1.0 B B8 1 0.50000000 0.55039389 0.43200623 1.0 B B9 1 0.50000000 0.44960611 0.56799377 1.0 B B10 1 0.50000000 0.05031039 0.06787863 1.0 B B11 1 0.50000000 0.94968961 0.93212137 1.0 B B12 1 0.50000000 0.74159417 0.42372324 1.0 B B13 1 0.50000000 0.25840583 0.57627676 1.0 B B14 1 0.50000000 0.24124618 0.07609278 1.0 B B15 1 0.50000000 0.75875382 0.92390722 1.0 B B16 1 0.50000000 0.80044478 0.27433557 1.0 B B17 1 0.50000000 0.19955522 0.72566443 1.0 B B18 1 0.50000000 0.30038257 0.22570130 1.0 B B19 1 0.50000000 0.69961743 0.77429870 1.0 B B20 1 0.50000000 0.64461474 0.18910502 1.0 B B21 1 0.50000000 0.35538526 0.81089498 1.0 B B22 1 0.50000000 0.14480170 0.31097387 1.0 B B23 1 0.50000000 0.85519830 0.68902613 1.0 B B24 1 0.50000000 0.98773540 0.21774557 1.0 B B25 1 0.50000000 0.01226460 0.78225443 1.0 B B26 1 0.50000000 0.48773726 0.28229226 1.0 B B27 1 0.50000000 0.51226274 0.71770774 1.0 B B28 1 0.50000000 0.64402509 0.04023033 1.0 B B29 1 0.50000000 0.35597491 0.95976967 1.0 B B30 1 0.50000000 0.14391151 0.45985529 1.0 B B31 1 0.50000000 0.85608849 0.54014471 1.0 Mo Mo32 1 0.00000000 0.14417218 0.17948287 1.0 Mo Mo33 1 0.00000000 0.85582782 0.82051713 1.0 W W34 1 0.00000000 0.64403176 0.32059890 1.0 W W35 1 0.00000000 0.35596824 0.67940110 1.0