# generated using pymatgen data_Zr3Ti9Sn9Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.35179541 _cell_length_b 9.38578600 _cell_length_c 5.74773002 _cell_angle_alpha 90.28928738 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.88027749 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ti9Sn9Au _chemical_formula_sum 'Zr3 Ti9 Sn9 Au1' _cell_volume 437.42937637 _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 Zr Zr0 1 0.84979304 0.69958609 0.74292915 1.0 Zr Zr1 1 0.14104619 0.84346427 0.25799709 1.0 Zr Zr2 1 0.70241808 0.84346427 0.25799709 1.0 Ti Ti3 1 0.31309449 0.14198679 0.75505217 1.0 Ti Ti4 1 0.82889230 0.14198679 0.75505217 1.0 Ti Ti5 1 0.16030077 0.32060254 0.23388356 1.0 Ti Ti6 1 0.50075156 0.00150312 0.50570447 1.0 Ti Ti7 1 0.49153241 0.49215485 0.99770060 1.0 Ti Ti8 1 0.00062243 0.49215485 0.99770060 1.0 Ti Ti9 1 0.99912548 0.49736387 0.50031893 1.0 Ti Ti10 1 0.50191764 0.00383628 0.00125746 1.0 Ti Ti11 1 0.49823939 0.49736387 0.50031893 1.0 Sn Sn12 1 0.19584509 0.39169019 0.73828725 1.0 Sn Sn13 1 0.79803354 0.20262169 0.25391168 1.0 Sn Sn14 1 0.40458816 0.20262169 0.25391168 1.0 Sn Sn15 1 0.58334901 0.79082452 0.75624139 1.0 Sn Sn16 1 0.20747551 0.79082452 0.75624139 1.0 Sn Sn17 1 0.78841512 0.57682924 0.24332089 1.0 Sn Sn18 1 0.66607869 0.33215538 0.75129321 1.0 Sn Sn19 1 0.33486469 0.66973038 0.25055218 1.0 Sn Sn20 1 0.00873993 0.01747887 0.99109165 1.0 Au Au21 1 0.02487745 0.04975490 0.49923847 1.0