# generated using pymatgen data_Hf4TiV3As4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55163071 _cell_length_b 6.76442004 _cell_length_c 8.16206399 _cell_angle_alpha 90.10245509 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4TiV3As4 _chemical_formula_sum 'Hf4 Ti1 V3 As4' _cell_volume 196.09100425 _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 0.04622501 0.83549163 1.0 Hf Hf1 1 0.25000000 0.54822642 0.66585610 1.0 Hf Hf2 1 0.75000000 0.95222375 0.16478089 1.0 Hf Hf3 1 0.75000000 0.45867119 0.33014154 1.0 Ti Ti4 1 0.25000000 0.12784395 0.44174874 1.0 V V5 1 0.25000000 0.62869101 0.05674686 1.0 V V6 1 0.75000000 0.86406591 0.56103264 1.0 V V7 1 0.75000000 0.37358903 0.94244367 1.0 As As8 1 0.25000000 0.75619220 0.35989030 1.0 As As9 1 0.25000000 0.25760371 0.13641065 1.0 As As10 1 0.75000000 0.24333663 0.64359680 1.0 As As11 1 0.75000000 0.74333118 0.86186219 1.0