# generated using pymatgen data_Zr6Zn22CuAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66961049 _cell_length_b 8.66960986 _cell_length_c 8.66960920 _cell_angle_alpha 60.00000252 _cell_angle_beta 60.00000491 _cell_angle_gamma 59.99999663 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Zn22CuAs _chemical_formula_sum 'Zr6 Zn22 Cu1 As1' _cell_volume 460.76944986 _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 0.71283233 0.28716767 0.28716767 1.0 Zr Zr1 1 0.28716767 0.71283233 0.71283233 1.0 Zr Zr2 1 0.28716767 0.71283233 0.28716767 1.0 Zr Zr3 1 0.71283233 0.28716767 0.71283233 1.0 Zr Zr4 1 0.28716767 0.28716767 0.71283233 1.0 Zr Zr5 1 0.71283233 0.71283233 0.28716767 1.0 Zn Zn6 1 0.12115547 0.12115547 0.12115547 1.0 Zn Zn7 1 0.87884453 0.87884453 0.87884453 1.0 Zn Zn8 1 0.12115547 0.12115547 0.63653460 1.0 Zn Zn9 1 0.12115547 0.63653460 0.12115547 1.0 Zn Zn10 1 0.87884453 0.87884453 0.36346540 1.0 Zn Zn11 1 0.87884453 0.36346540 0.87884453 1.0 Zn Zn12 1 0.63653460 0.12115547 0.12115547 1.0 Zn Zn13 1 0.36346540 0.87884453 0.87884453 1.0 Zn Zn14 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn15 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn16 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn17 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn18 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn19 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn20 1 0.33205882 0.33205882 0.33205882 1.0 Zn Zn21 1 0.66794118 0.66794118 0.66794118 1.0 Zn Zn22 1 0.33205882 0.33205882 0.00382355 1.0 Zn Zn23 1 0.33205882 0.00382355 0.33205882 1.0 Zn Zn24 1 0.66794118 0.66794118 0.99617645 1.0 Zn Zn25 1 0.66794118 0.99617645 0.66794118 1.0 Zn Zn26 1 0.00382355 0.33205882 0.33205882 1.0 Zn Zn27 1 0.99617645 0.66794118 0.66794118 1.0 Cu Cu28 1 0.00000000 0.00000000 0.00000000 1.0 As As29 1 0.50000000 0.50000000 0.50000000 1.0