# generated using pymatgen data_Zr3As2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.58756438 _cell_length_b 3.76391103 _cell_length_c 10.14826188 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3As2 _chemical_formula_sum 'Zr12 As8' _cell_volume 404.41483585 _cell_formula_units_Z 4 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 Zr Zr0 1 0.21525809 0.24999800 0.20371304 1.0 Zr Zr1 1 0.28474191 0.74999900 0.70371204 1.0 Zr Zr2 1 0.71525809 0.24999800 0.29628796 1.0 Zr Zr3 1 0.78474191 0.74999900 0.79628796 1.0 Zr Zr4 1 0.12418773 0.74999900 0.43253169 1.0 Zr Zr5 1 0.37581227 0.24999800 0.93253369 1.0 Zr Zr6 1 0.62418773 0.74999900 0.06746731 1.0 Zr Zr7 1 0.87581227 0.24999800 0.56746631 1.0 Zr Zr8 1 0.04427913 0.24999800 0.87459840 1.0 Zr Zr9 1 0.45572187 0.74999900 0.37459840 1.0 Zr Zr10 1 0.54427813 0.24999800 0.62540160 1.0 Zr Zr11 1 0.95572187 0.74999900 0.12540160 1.0 As As12 1 0.30569546 0.24999800 0.49923589 1.0 As As13 1 0.19430454 0.74999900 0.99923589 1.0 As As14 1 0.69430354 0.74999900 0.50076511 1.0 As As15 1 0.80569546 0.24999800 0.00076411 1.0 As As16 1 0.97217326 0.24999800 0.32086866 1.0 As As17 1 0.52782674 0.74999900 0.82086866 1.0 As As18 1 0.47217326 0.24999800 0.17913034 1.0 As As19 1 0.02782674 0.74999900 0.67913034 1.0