# generated using pymatgen data_Hf2TiVAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55420510 _cell_length_b 6.79735828 _cell_length_c 8.25946504 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TiVAs2 _chemical_formula_sum 'Hf4 Ti2 V2 As4' _cell_volume 199.54211290 _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 0.04878136 0.83696021 1.0 Hf Hf1 1 0.25000000 0.54878136 0.66303979 1.0 Hf Hf2 1 0.75000000 0.95800060 0.16685045 1.0 Hf Hf3 1 0.75000000 0.45800060 0.33314955 1.0 Ti Ti4 1 0.25000000 0.12737504 0.44279197 1.0 Ti Ti5 1 0.25000000 0.62737504 0.05720803 1.0 V V6 1 0.75000000 0.86584662 0.55984214 1.0 V V7 1 0.75000000 0.36584662 0.94015786 1.0 As As8 1 0.25000000 0.75738968 0.36191414 1.0 As As9 1 0.25000000 0.25738968 0.13808586 1.0 As As10 1 0.75000000 0.24260770 0.64279037 1.0 As As11 1 0.75000000 0.74260770 0.85720963 1.0