# generated using pymatgen data_CsCu5S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91495300 _cell_length_b 9.01488900 _cell_length_c 9.60712700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsCu5S3 _chemical_formula_sum 'Cs2 Cu10 S6' _cell_volume 339.06305292 _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 Cs Cs0 1 0.00000000 0.05898800 0.25000000 1.0 Cs Cs1 1 0.00000000 0.94101200 0.75000000 1.0 Cu Cu2 1 0.50000000 0.71444400 0.25000000 1.0 Cu Cu3 1 0.50000000 0.57675500 0.88672900 1.0 Cu Cu4 1 0.00000000 0.63998100 0.07809300 1.0 Cu Cu5 1 0.50000000 0.42324500 0.38672900 1.0 Cu Cu6 1 0.50000000 0.42324500 0.11327100 1.0 Cu Cu7 1 0.00000000 0.36001900 0.92190700 1.0 Cu Cu8 1 0.00000000 0.36001900 0.57809300 1.0 Cu Cu9 1 0.50000000 0.57675500 0.61327100 1.0 Cu Cu10 1 0.00000000 0.63998100 0.42190700 1.0 Cu Cu11 1 0.50000000 0.28555600 0.75000000 1.0 S S12 1 0.50000000 0.22032200 0.52799900 1.0 S S13 1 0.00000000 0.45750200 0.25000000 1.0 S S14 1 0.50000000 0.77967800 0.02799900 1.0 S S15 1 0.00000000 0.54249800 0.75000000 1.0 S S16 1 0.50000000 0.22032200 0.97200100 1.0 S S17 1 0.50000000 0.77967800 0.47200100 1.0