# generated using pymatgen data_PaTi6Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27399624 _cell_length_b 5.27399624 _cell_length_c 5.27399624 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaTi6Bi _chemical_formula_sum 'Pa1 Ti6 Bi1' _cell_volume 146.69639743 _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 0.50000000 0.50000000 0.50000000 1.0 Ti Ti1 1 0.50000000 0.25610615 0.00000000 1.0 Ti Ti2 1 0.50000000 0.74389385 0.00000000 1.0 Ti Ti3 1 0.25610615 0.00000000 0.50000000 1.0 Ti Ti4 1 0.74389385 0.00000000 0.50000000 1.0 Ti Ti5 1 0.00000000 0.50000000 0.25610615 1.0 Ti Ti6 1 0.00000000 0.50000000 0.74389385 1.0 Bi Bi7 1 0.00000000 0.00000000 0.00000000 1.0