# generated using pymatgen data_Hf2TaTiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57817744 _cell_length_b 6.92226383 _cell_length_c 8.47486715 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TaTiAs2 _chemical_formula_sum 'Hf4 Ta2 Ti2 As4' _cell_volume 209.91473247 _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 0.25000000 0.04033275 0.66509484 1.0 Hf Hf1 1 0.25000000 0.54095733 0.83522254 1.0 Hf Hf2 1 0.75000000 0.45966725 0.16509484 1.0 Hf Hf3 1 0.75000000 0.95904267 0.33522254 1.0 Ta Ta4 1 0.75000000 0.36312640 0.55989516 1.0 Ta Ta5 1 0.25000000 0.13687360 0.05989516 1.0 Ti Ti6 1 0.75000000 0.86576059 0.94060171 1.0 Ti Ti7 1 0.25000000 0.63423941 0.44060171 1.0 As As8 1 0.25000000 0.25907511 0.35661792 1.0 As As9 1 0.25000000 0.75790666 0.14256983 1.0 As As10 1 0.75000000 0.74209334 0.64256983 1.0 As As11 1 0.75000000 0.24092489 0.85661792 1.0