# generated using pymatgen data_Zr3ZnCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.45830949 _cell_length_b 8.45830949 _cell_length_c 8.45830949 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3ZnCu2 _chemical_formula_sum 'Zr12 Zn4 Cu8' _cell_volume 427.89352881 _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 0.80293400 0.80293400 0.19706600 1.0 Zr Zr1 1 0.19706600 0.19706600 0.80293400 1.0 Zr Zr2 1 0.80293400 0.19706600 0.80293400 1.0 Zr Zr3 1 0.19706600 0.80293400 0.19706600 1.0 Zr Zr4 1 0.19706600 0.80293400 0.80293400 1.0 Zr Zr5 1 0.80293400 0.19706600 0.19706600 1.0 Zr Zr6 1 0.44706600 0.44706600 0.05293400 1.0 Zr Zr7 1 0.05293400 0.05293400 0.44706600 1.0 Zr Zr8 1 0.44706600 0.05293400 0.44706600 1.0 Zr Zr9 1 0.05293400 0.44706600 0.05293400 1.0 Zr Zr10 1 0.05293400 0.44706600 0.44706600 1.0 Zr Zr11 1 0.44706600 0.05293400 0.05293400 1.0 Zn Zn12 1 0.12500000 0.62500000 0.62500000 1.0 Zn Zn13 1 0.62500000 0.12500000 0.62500000 1.0 Zn Zn14 1 0.62500000 0.62500000 0.12500000 1.0 Zn Zn15 1 0.62500000 0.62500000 0.62500000 1.0 Cu Cu16 1 0.74526700 0.41824400 0.41824400 1.0 Cu Cu17 1 0.41824400 0.74526700 0.41824400 1.0 Cu Cu18 1 0.41824400 0.41824400 0.74526700 1.0 Cu Cu19 1 0.41824400 0.41824400 0.41824400 1.0 Cu Cu20 1 0.50473300 0.83175600 0.83175600 1.0 Cu Cu21 1 0.83175600 0.50473300 0.83175600 1.0 Cu Cu22 1 0.83175600 0.83175600 0.50473300 1.0 Cu Cu23 1 0.83175600 0.83175600 0.83175600 1.0