# generated using pymatgen data_Hf4Ta3TiAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56967803 _cell_length_b 6.97855199 _cell_length_c 8.49183556 _cell_angle_alpha 90.18250786 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Ta3TiAs4 _chemical_formula_sum 'Hf4 Ta3 Ti1 As4' _cell_volume 211.54060268 _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 0.25000000 0.03836421 0.66528571 1.0 Hf Hf1 1 0.25000000 0.53756672 0.83556591 1.0 Hf Hf2 1 0.75000000 0.46105838 0.16508335 1.0 Hf Hf3 1 0.75000000 0.95925802 0.33383070 1.0 Ta Ta4 1 0.25000000 0.63844333 0.43987324 1.0 Ta Ta5 1 0.75000000 0.36298354 0.56012116 1.0 Ta Ta6 1 0.25000000 0.13741880 0.06023342 1.0 Ti Ti7 1 0.75000000 0.86597591 0.94043696 1.0 As As8 1 0.25000000 0.25744793 0.35528452 1.0 As As9 1 0.25000000 0.75886219 0.13803081 1.0 As As10 1 0.75000000 0.74250860 0.64969948 1.0 As As11 1 0.75000000 0.24011338 0.85655473 1.0