# generated using pymatgen data_HfPa3(NiAs)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96435335 _cell_length_b 3.96435387 _cell_length_c 15.38494393 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000365 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPa3(NiAs)4 _chemical_formula_sum 'Hf1 Pa3 Ni4 As4' _cell_volume 209.39740953 _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 Hf Hf0 1 0.00000000 0.00000000 0.25000000 1.0 Pa Pa1 1 0.00000000 0.00000000 0.75000000 1.0 Pa Pa2 1 0.00000000 0.00000000 0.00560131 1.0 Pa Pa3 1 0.00000000 0.00000000 0.49439869 1.0 Ni Ni4 1 0.33333300 0.66666700 0.16369717 1.0 Ni Ni5 1 0.66666700 0.33333300 0.87778536 1.0 Ni Ni6 1 0.66666700 0.33333300 0.62221464 1.0 Ni Ni7 1 0.33333300 0.66666700 0.33630283 1.0 As As8 1 0.33333300 0.66666700 0.62086792 1.0 As As9 1 0.66666700 0.33333300 0.37294670 1.0 As As10 1 0.66666700 0.33333300 0.12705330 1.0 As As11 1 0.33333300 0.66666700 0.87913208 1.0