# generated using pymatgen data_Zr3Zn2AuC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68270500 _cell_length_b 8.68270444 _cell_length_c 8.68270620 _cell_angle_alpha 59.99999705 _cell_angle_beta 59.99999916 _cell_angle_gamma 59.99999948 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Zn2AuC _chemical_formula_sum 'Zr12 Zn8 Au4 C4' _cell_volume 462.86054003 _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 0.43882333 0.43882333 0.06117667 1.0 Zr Zr1 1 0.06117667 0.43882333 0.06117667 1.0 Zr Zr2 1 0.43882333 0.06117667 0.06117667 1.0 Zr Zr3 1 0.06117667 0.06117667 0.43882333 1.0 Zr Zr4 1 0.43882333 0.06117667 0.43882333 1.0 Zr Zr5 1 0.06117667 0.43882333 0.43882333 1.0 Zr Zr6 1 0.81117667 0.81117667 0.18882333 1.0 Zr Zr7 1 0.18882333 0.81117667 0.18882333 1.0 Zr Zr8 1 0.81117667 0.18882333 0.18882333 1.0 Zr Zr9 1 0.18882333 0.18882333 0.81117667 1.0 Zr Zr10 1 0.81117667 0.18882333 0.81117667 1.0 Zr Zr11 1 0.18882333 0.81117667 0.81117667 1.0 Zn Zn12 1 0.83297724 0.83297724 0.50106829 1.0 Zn Zn13 1 0.83297724 0.50106829 0.83297724 1.0 Zn Zn14 1 0.50106829 0.83297724 0.83297724 1.0 Zn Zn15 1 0.83297724 0.83297724 0.83297724 1.0 Zn Zn16 1 0.41702276 0.41702276 0.74893171 1.0 Zn Zn17 1 0.41702276 0.74893171 0.41702276 1.0 Zn Zn18 1 0.74893171 0.41702276 0.41702276 1.0 Zn Zn19 1 0.41702276 0.41702276 0.41702276 1.0 Au Au20 1 0.62500000 0.62500000 0.12500000 1.0 Au Au21 1 0.62500000 0.12500000 0.62500000 1.0 Au Au22 1 0.12500000 0.62500000 0.62500000 1.0 Au Au23 1 0.62500000 0.62500000 0.62500000 1.0 C C24 1 0.12500000 0.12500000 0.62500000 1.0 C C25 1 0.12500000 0.62500000 0.12500000 1.0 C C26 1 0.62500000 0.12500000 0.12500000 1.0 C C27 1 0.12500000 0.12500000 0.12500000 1.0