# generated using pymatgen data_HfZr2NbAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08502057 _cell_length_b 3.66331940 _cell_length_c 8.72994828 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr2NbAs2 _chemical_formula_sum 'Hf2 Zr4 Nb2 As4' _cell_volume 226.58313007 _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 0.63453090 0.74999900 0.05964485 1.0 Hf Hf1 1 0.13453090 0.74999900 0.44035515 1.0 Zr Zr2 1 0.96381998 0.25000000 0.16875512 1.0 Zr Zr3 1 0.46381898 0.25000000 0.33124488 1.0 Zr Zr4 1 0.54372046 0.74999900 0.66549108 1.0 Zr Zr5 1 0.04372046 0.74999900 0.83450992 1.0 Nb Nb6 1 0.85852550 0.25000000 0.56077691 1.0 Nb Nb7 1 0.35852550 0.25000000 0.93922409 1.0 As As8 1 0.25625925 0.74999900 0.14136823 1.0 As As9 1 0.75625925 0.74999900 0.35863177 1.0 As As10 1 0.24314391 0.25000000 0.64503730 1.0 As As11 1 0.74314391 0.25000000 0.85496270 1.0