# generated using pymatgen data_Cu3Sb4(OF)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07162570 _cell_length_b 7.07162570 _cell_length_c 7.07162570 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3Sb4(OF)6 _chemical_formula_sum 'Cu3 Sb4 O6 F6' _cell_volume 272.22995113 _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 Cu Cu0 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu1 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu2 1 0.00000000 0.50000000 0.50000000 1.0 Sb Sb3 1 0.67272600 0.67272600 0.67272600 1.0 Sb Sb4 1 0.32727400 0.00000000 0.00000000 1.0 Sb Sb5 1 0.00000000 0.32727400 0.00000000 1.0 Sb Sb6 1 0.00000000 0.00000000 0.32727400 1.0 O O7 1 0.74664500 0.74664500 0.00000000 1.0 O O8 1 0.25335500 0.00000000 0.25335500 1.0 O O9 1 0.00000000 0.25335500 0.25335500 1.0 O O10 1 0.25335500 0.25335500 0.00000000 1.0 O O11 1 0.74664500 0.00000000 0.74664500 1.0 O O12 1 0.00000000 0.74664500 0.74664500 1.0 F F13 1 0.50000000 0.25000000 0.75000000 1.0 F F14 1 0.75000000 0.25000000 0.50000000 1.0 F F15 1 0.75000000 0.50000000 0.25000000 1.0 F F16 1 0.50000000 0.75000000 0.25000000 1.0 F F17 1 0.25000000 0.50000000 0.75000000 1.0 F F18 1 0.25000000 0.75000000 0.50000000 1.0