# generated using pymatgen data_HfPa3Bi2Sb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.44400528 _cell_length_b 9.44400502 _cell_length_c 6.24913291 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999374 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPa3Bi2Sb3 _chemical_formula_sum 'Hf2 Pa6 Bi4 Sb6' _cell_volume 482.68394239 _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 Hf Hf0 1 0.00000000 0.00000000 0.00000000 1.0 Hf Hf1 1 0.00000000 0.00000000 0.50000000 1.0 Pa Pa2 1 0.61818370 0.00000000 0.25000000 1.0 Pa Pa3 1 0.38181630 1.00000000 0.75000000 1.0 Pa Pa4 1 0.00000000 0.61818370 0.25000000 1.0 Pa Pa5 1 1.00000000 0.38181630 0.75000000 1.0 Pa Pa6 1 0.38181630 0.38181630 0.25000000 1.0 Pa Pa7 1 0.61818370 0.61818370 0.75000000 1.0 Bi Bi8 1 0.33333300 0.66666700 0.00000000 1.0 Bi Bi9 1 0.66666700 0.33333300 0.00000000 1.0 Bi Bi10 1 0.66666700 0.33333300 0.50000000 1.0 Bi Bi11 1 0.33333300 0.66666700 0.50000000 1.0 Sb Sb12 1 0.26773461 0.00000000 0.25000000 1.0 Sb Sb13 1 0.73226539 1.00000000 0.75000000 1.0 Sb Sb14 1 0.00000000 0.26773461 0.25000000 1.0 Sb Sb15 1 1.00000000 0.73226539 0.75000000 1.0 Sb Sb16 1 0.73226539 0.73226539 0.25000000 1.0 Sb Sb17 1 0.26773461 0.26773461 0.75000000 1.0