# generated using pymatgen data_Zr3Al2AuC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72070501 _cell_length_b 8.72070593 _cell_length_c 8.72070503 _cell_angle_alpha 59.99999968 _cell_angle_beta 59.99999618 _cell_angle_gamma 59.99999665 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Al2AuC _chemical_formula_sum 'Zr12 Al8 Au4 C4' _cell_volume 468.96433212 _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 0.93700151 0.93700151 0.56299849 1.0 Zr Zr1 1 0.68700151 0.31299849 0.31299849 1.0 Zr Zr2 1 0.31299849 0.68700151 0.68700151 1.0 Zr Zr3 1 0.68700151 0.68700151 0.31299849 1.0 Zr Zr4 1 0.68700151 0.31299849 0.68700151 1.0 Zr Zr5 1 0.31299849 0.68700151 0.31299849 1.0 Zr Zr6 1 0.56299849 0.93700151 0.56299849 1.0 Zr Zr7 1 0.56299849 0.93700151 0.93700151 1.0 Zr Zr8 1 0.93700151 0.56299849 0.56299849 1.0 Zr Zr9 1 0.93700151 0.56299849 0.93700151 1.0 Zr Zr10 1 0.31299849 0.31299849 0.68700151 1.0 Zr Zr11 1 0.56299849 0.56299849 0.93700151 1.0 Al Al12 1 0.91816850 0.24549449 0.91816850 1.0 Al Al13 1 0.33183150 0.33183150 0.00450551 1.0 Al Al14 1 0.00450551 0.33183150 0.33183150 1.0 Al Al15 1 0.33183150 0.33183150 0.33183150 1.0 Al Al16 1 0.24549449 0.91816850 0.91816850 1.0 Al Al17 1 0.91816850 0.91816850 0.91816850 1.0 Al Al18 1 0.91816850 0.91816850 0.24549449 1.0 Al Al19 1 0.33183150 0.00450551 0.33183150 1.0 Au Au20 1 0.12500000 0.62500000 0.12500000 1.0 Au Au21 1 0.12500000 0.12500000 0.62500000 1.0 Au Au22 1 0.62500000 0.12500000 0.12500000 1.0 Au Au23 1 0.12500000 0.12500000 0.12500000 1.0 C C24 1 0.62500000 0.12500000 0.62500000 1.0 C C25 1 0.62500000 0.62500000 0.12500000 1.0 C C26 1 0.12500000 0.62500000 0.62500000 1.0 C C27 1 0.62500000 0.62500000 0.62500000 1.0