# generated using pymatgen data_PaBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70116557 _cell_length_b 6.70117131 _cell_length_c 6.07807023 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99992233 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaBi3 _chemical_formula_sum 'Pa2 Bi6' _cell_volume 236.37293854 _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 0.33333300 0.66666700 0.74999900 1.0 Pa Pa1 1 0.66666700 0.33333300 0.25000000 1.0 Bi Bi2 1 0.17263070 0.34525940 0.25000000 1.0 Bi Bi3 1 0.65474060 0.82737030 0.25000000 1.0 Bi Bi4 1 0.17262970 0.82737030 0.25000000 1.0 Bi Bi5 1 0.82735955 0.65471910 0.74999900 1.0 Bi Bi6 1 0.34528090 0.17264145 0.74999900 1.0 Bi Bi7 1 0.82735955 0.17264145 0.74999900 1.0