# generated using pymatgen data_Cu9S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72508400 _cell_length_b 7.76895151 _cell_length_c 8.70338600 _cell_angle_alpha 77.14160338 _cell_angle_beta 75.02882752 _cell_angle_gamma 73.29919110 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu9S5 _chemical_formula_sum 'Cu18 S10' _cell_volume 415.31994909 _cell_formula_units_Z 2 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 0.04636300 0.45440800 0.15008900 1.0 Cu Cu1 1 0.95383000 0.05204600 0.84988900 1.0 Cu Cu2 1 0.04617000 0.94795400 0.15011100 1.0 Cu Cu3 1 0.15148900 0.34935600 0.45349800 1.0 Cu Cu4 1 0.95363700 0.54559200 0.84991100 1.0 Cu Cu5 1 0.44574700 0.55484100 0.34757900 1.0 Cu Cu6 1 0.34769900 0.65194900 0.04360700 1.0 Cu Cu7 1 0.25629200 0.74938300 0.74465800 1.0 Cu Cu8 1 0.15085900 0.84894000 0.44879400 1.0 Cu Cu9 1 0.65047800 0.84888900 0.95419400 1.0 Cu Cu10 1 0.54600100 0.95345900 0.65080200 1.0 Cu Cu11 1 0.45399900 0.04654100 0.34919800 1.0 Cu Cu12 1 0.84914100 0.15106000 0.55120600 1.0 Cu Cu13 1 0.34952200 0.15111100 0.04580600 1.0 Cu Cu14 1 0.65230100 0.34805100 0.95639300 1.0 Cu Cu15 1 0.55425300 0.44515900 0.65242100 1.0 Cu Cu16 1 0.84851100 0.65064400 0.54650200 1.0 Cu Cu17 1 0.74370800 0.25061700 0.25534200 1.0 S S18 1 0.89874300 0.84999100 0.70063100 1.0 S S19 1 0.90256700 0.34968000 0.69954500 1.0 S S20 1 0.09743300 0.65032000 0.30045500 1.0 S S21 1 0.29945600 0.95302200 0.89959000 1.0 S S22 1 0.10125700 0.15000900 0.29936900 1.0 S S23 1 0.49764600 0.25012900 0.50168800 1.0 S S24 1 0.29865100 0.44810100 0.89902000 1.0 S S25 1 0.70134900 0.55189900 0.10098000 1.0 S S26 1 0.50235400 0.74987100 0.49831200 1.0 S S27 1 0.70054400 0.04697800 0.10041000 1.0