# generated using pymatgen data_Hf3Nb(As2Pd)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88269644 _cell_length_b 3.60670699 _cell_length_c 13.19801360 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.21895416 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Nb(As2Pd)4 _chemical_formula_sum 'Hf3 Nb1 As8 Pd4' _cell_volume 280.02235304 _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 0.97900336 0.75000100 0.16701020 1.0 Hf Hf1 1 0.48126264 0.75000100 0.33175687 1.0 Hf Hf2 1 0.52026472 0.24999900 0.67166525 1.0 Nb Nb3 1 0.01978519 0.24999900 0.83061989 1.0 As As4 1 0.17563522 0.24999900 0.03178245 1.0 As As5 1 0.64989582 0.24999900 0.19853041 1.0 As As6 1 0.15102352 0.24999900 0.29922467 1.0 As As7 1 0.67945241 0.24999900 0.46690601 1.0 As As8 1 0.32801228 0.75000100 0.53526068 1.0 As As9 1 0.85391054 0.75000100 0.70297411 1.0 As As10 1 0.34256499 0.75000100 0.80170713 1.0 As As11 1 0.82433131 0.75000100 0.96118437 1.0 Pd Pd12 1 0.46206078 0.75000100 0.08851021 1.0 Pd Pd13 1 0.96551501 0.75000100 0.40986463 1.0 Pd Pd14 1 0.03603132 0.24999900 0.59357799 1.0 Pd Pd15 1 0.53124988 0.24999900 0.90942814 1.0