# generated using pymatgen data_Pa4(BRu4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16490589 _cell_length_b 4.16490589 _cell_length_c 16.34335212 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa4(BRu4)3 _chemical_formula_sum 'Pa4 B3 Ru12' _cell_volume 283.49899456 _cell_formula_units_Z 1 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 0.00000000 0.88316110 1.0 Pa Pa1 1 0.00000000 0.00000000 0.11683890 1.0 Pa Pa2 1 0.00000000 0.00000000 0.37219793 1.0 Pa Pa3 1 0.00000000 0.00000000 0.62780207 1.0 B B4 1 0.50000000 0.50000000 0.23956938 1.0 B B5 1 0.50000000 0.50000000 0.50000000 1.0 B B6 1 0.50000000 0.50000000 0.76043062 1.0 Ru Ru7 1 0.50000000 0.50000000 0.88481639 1.0 Ru Ru8 1 0.50000000 0.50000000 0.11518361 1.0 Ru Ru9 1 0.50000000 0.50000000 0.37200698 1.0 Ru Ru10 1 0.50000000 0.50000000 0.62799302 1.0 Ru Ru11 1 0.50000000 0.00000000 0.00000000 1.0 Ru Ru12 1 0.50000000 0.00000000 0.24748059 1.0 Ru Ru13 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru14 1 0.50000000 0.00000000 0.75251941 1.0 Ru Ru15 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru16 1 0.00000000 0.50000000 0.24748059 1.0 Ru Ru17 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru18 1 0.00000000 0.50000000 0.75251941 1.0