# generated using pymatgen data_Zr6Zn16Cu7S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.54040071 _cell_length_b 8.54040102 _cell_length_c 8.54040040 _cell_angle_alpha 59.99999865 _cell_angle_beta 59.99999744 _cell_angle_gamma 59.99999733 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Zn16Cu7S _chemical_formula_sum 'Zr6 Zn16 Cu7 S1' _cell_volume 440.47343838 _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 0.70659740 0.29340260 0.29340260 1.0 Zr Zr1 1 0.29340260 0.70659740 0.70659740 1.0 Zr Zr2 1 0.29340260 0.70659740 0.29340260 1.0 Zr Zr3 1 0.70659740 0.29340260 0.70659740 1.0 Zr Zr4 1 0.29340260 0.29340260 0.70659740 1.0 Zr Zr5 1 0.70659740 0.70659740 0.29340260 1.0 Zn Zn6 1 0.12111925 0.12111925 0.12111925 1.0 Zn Zn7 1 0.87888075 0.87888075 0.87888075 1.0 Zn Zn8 1 0.12111925 0.12111925 0.63664124 1.0 Zn Zn9 1 0.12111925 0.63664124 0.12111925 1.0 Zn Zn10 1 0.87888075 0.87888075 0.36335876 1.0 Zn Zn11 1 0.87888075 0.36335876 0.87888075 1.0 Zn Zn12 1 0.63664124 0.12111925 0.12111925 1.0 Zn Zn13 1 0.36335876 0.87888075 0.87888075 1.0 Zn Zn14 1 0.33158139 0.33158139 0.33158139 1.0 Zn Zn15 1 0.66841861 0.66841861 0.66841861 1.0 Zn Zn16 1 0.33158139 0.33158139 0.00525682 1.0 Zn Zn17 1 0.33158139 0.00525682 0.33158139 1.0 Zn Zn18 1 0.66841861 0.66841861 0.99474318 1.0 Zn Zn19 1 0.66841861 0.99474318 0.66841861 1.0 Zn Zn20 1 0.00525682 0.33158139 0.33158139 1.0 Zn Zn21 1 0.99474318 0.66841861 0.66841861 1.0 Cu Cu22 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu23 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu24 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu25 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu26 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu27 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu28 1 0.00000000 0.00000000 0.00000000 1.0 S S29 1 0.50000000 0.50000000 0.50000000 1.0