# generated using pymatgen data_Cu4W(SCl)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.96563982 _cell_length_b 9.96563982 _cell_length_c 9.96563982 _cell_angle_alpha 95.40622318 _cell_angle_beta 95.40622318 _cell_angle_gamma 144.24932596 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4W(SCl)4 _chemical_formula_sum 'Cu8 W2 S8 Cl8' _cell_volume 550.34287147 _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 0.13723500 0.13723500 0.27447000 1.0 Cu Cu1 1 0.86276500 0.13723500 0.00000000 1.0 Cu Cu2 1 0.50000000 0.13336700 0.63336700 1.0 Cu Cu3 1 0.86276500 0.86276500 0.72553000 1.0 Cu Cu4 1 0.13723500 0.86276500 0.00000000 1.0 Cu Cu5 1 0.50000000 0.86663300 0.36663300 1.0 Cu Cu6 1 0.13336700 0.50000000 0.63336700 1.0 Cu Cu7 1 0.86663300 0.50000000 0.36663300 1.0 W W8 1 0.00000000 0.00000000 0.00000000 1.0 W W9 1 0.50000000 0.50000000 0.00000000 1.0 S S10 1 0.09754700 0.25045900 0.84708800 1.0 S S11 1 0.40337100 0.25045900 0.15291200 1.0 S S12 1 0.59662900 0.74954100 0.84708800 1.0 S S13 1 0.25045900 0.09754700 0.84708800 1.0 S S14 1 0.90245300 0.74954100 0.15291200 1.0 S S15 1 0.74954100 0.90245300 0.15291200 1.0 S S16 1 0.25045900 0.40337100 0.15291200 1.0 S S17 1 0.74954100 0.59662900 0.84708800 1.0 Cl Cl18 1 0.87885900 0.37885900 0.75771800 1.0 Cl Cl19 1 0.37885900 0.87885900 0.75771800 1.0 Cl Cl20 1 0.62114100 0.37885900 0.50000000 1.0 Cl Cl21 1 0.12114100 0.87885900 0.50000000 1.0 Cl Cl22 1 0.87885900 0.12114100 0.50000000 1.0 Cl Cl23 1 0.62114100 0.12114100 0.24228200 1.0 Cl Cl24 1 0.12114100 0.62114100 0.24228200 1.0 Cl Cl25 1 0.37885900 0.62114100 0.50000000 1.0