# generated using pymatgen data_Cu9S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79163200 _cell_length_b 6.50973005 _cell_length_c 6.52245544 _cell_angle_alpha 79.57179134 _cell_angle_beta 115.73126788 _cell_angle_gamma 115.97422050 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu9S5 _chemical_formula_sum 'Cu9 S5' _cell_volume 199.13637930 _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 0.00043400 0.97739200 0.67513700 1.0 Cu Cu1 1 0.48200600 0.02571700 0.98780300 1.0 Cu Cu2 1 0.64938100 0.69791700 0.09610600 1.0 Cu Cu3 1 0.14675500 0.81677300 0.42239200 1.0 Cu Cu4 1 0.13554100 0.41924200 0.52407100 1.0 Cu Cu5 1 0.69930300 0.58433300 0.76412300 1.0 Cu Cu6 1 0.88031800 0.27380900 0.83052300 1.0 Cu Cu7 1 0.27689300 0.37476200 0.21926000 1.0 Cu Cu8 1 0.59131400 0.12722900 0.38852900 1.0 S S9 1 0.03649700 0.00303600 0.04053200 1.0 S S10 1 0.57240200 0.76244700 0.40408800 1.0 S S11 1 0.20326400 0.63969600 0.79720100 1.0 S S12 1 0.78955000 0.39250400 0.16323600 1.0 S S13 1 0.40162200 0.20236100 0.60329700 1.0