# generated using pymatgen data_Hf(Zr3As2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69384837 _cell_length_b 8.29950285 _cell_length_c 15.13232930 _cell_angle_alpha 104.47923860 _cell_angle_beta 89.99999998 _cell_angle_gamma 102.85792228 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf(Zr3As2)2 _chemical_formula_sum 'Hf2 Zr12 As8' _cell_volume 437.15413572 _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 0.00000000 0.00000000 0.00000000 1.0 Hf Hf1 1 0.50000000 0.00000000 0.50000000 1.0 Zr Zr2 1 0.43022631 0.86045262 0.83559151 1.0 Zr Zr3 1 0.56977369 0.13954738 0.16440849 1.0 Zr Zr4 1 0.19429372 0.38858845 0.30806764 1.0 Zr Zr5 1 0.80570628 0.61141155 0.69193236 1.0 Zr Zr6 1 0.20559597 0.41119094 0.79604923 1.0 Zr Zr7 1 0.79440403 0.58880906 0.20395077 1.0 Zr Zr8 1 0.33850312 0.67700624 0.03236494 1.0 Zr Zr9 1 0.66149688 0.32299376 0.96763506 1.0 Zr Zr10 1 0.00244557 0.00489113 0.66405132 1.0 Zr Zr11 1 0.99755443 0.99510887 0.33594868 1.0 Zr Zr12 1 0.17898877 0.35797854 0.54437951 1.0 Zr Zr13 1 0.82101123 0.64202146 0.45562049 1.0 As As14 1 0.17761166 0.35522333 0.10798654 1.0 As As15 1 0.82238834 0.64477667 0.89201346 1.0 As As16 1 0.37237748 0.74475696 0.59765576 1.0 As As17 1 0.62762252 0.25524304 0.40234424 1.0 As As18 1 0.37032402 0.74064904 0.34013982 1.0 As As19 1 0.62967598 0.25935096 0.65986018 1.0 As As20 1 0.06194335 0.12388870 0.85132768 1.0 As As21 1 0.93805665 0.87611130 0.14867232 1.0