# generated using pymatgen data_Hf4Ta3TiP4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50180121 _cell_length_b 6.81549841 _cell_length_c 8.26059015 _cell_angle_alpha 90.21027537 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Ta3TiP4 _chemical_formula_sum 'Hf4 Ta3 Ti1 P4' _cell_volume 197.15021712 _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 0.02898811 0.66886315 1.0 Hf Hf1 1 0.25000000 0.53086226 0.83386616 1.0 Hf Hf2 1 0.75000000 0.46994758 0.16658724 1.0 Hf Hf3 1 0.75000000 0.96874958 0.33138718 1.0 Ta Ta4 1 0.25000000 0.64205752 0.44003946 1.0 Ta Ta5 1 0.75000000 0.35794964 0.56035177 1.0 Ta Ta6 1 0.25000000 0.14029860 0.05992484 1.0 Ti Ti7 1 0.75000000 0.86149447 0.93972870 1.0 P P8 1 0.25000000 0.26526846 0.35473819 1.0 P P9 1 0.25000000 0.76522424 0.13848466 1.0 P P10 1 0.75000000 0.73490451 0.64862574 1.0 P P11 1 0.75000000 0.23425504 0.85740291 1.0