# generated using pymatgen data_Hf4Ti3NbAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60523944 _cell_length_b 6.88172851 _cell_length_c 8.43158415 _cell_angle_alpha 89.96609635 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Ti3NbAs4 _chemical_formula_sum 'Hf4 Ti3 Nb1 As4' _cell_volume 209.18991862 _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 0.04049614 0.66237579 1.0 Hf Hf1 1 0.25000000 0.54234515 0.83406641 1.0 Hf Hf2 1 0.75000000 0.45482858 0.16666112 1.0 Hf Hf3 1 0.75000000 0.95651423 0.33523885 1.0 Ti Ti4 1 0.75000000 0.86753554 0.94170802 1.0 Ti Ti5 1 0.25000000 0.63517924 0.44153499 1.0 Ti Ti6 1 0.75000000 0.36870459 0.55952469 1.0 Nb Nb7 1 0.25000000 0.13644191 0.05882042 1.0 As As8 1 0.25000000 0.25889224 0.36383345 1.0 As As9 1 0.25000000 0.75402894 0.14272227 1.0 As As10 1 0.75000000 0.74247826 0.64263704 1.0 As As11 1 0.75000000 0.24255418 0.85087595 1.0