# generated using pymatgen data_Cu7S4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.83072204 _cell_length_b 7.88182350 _cell_length_c 10.78222293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu7S4 _chemical_formula_sum 'Cu28 S16' _cell_volume 665.48277785 _cell_formula_units_Z 4 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 0.51461350 0.75000000 0.15953971 1.0 Cu Cu1 1 0.98538650 0.25000000 0.65953971 1.0 Cu Cu2 1 0.41944059 0.75000000 0.82816961 1.0 Cu Cu3 1 0.51445535 0.75000000 0.41079208 1.0 Cu Cu4 1 0.27820545 0.08848127 0.16099719 1.0 Cu Cu5 1 0.01461350 0.75000000 0.34046029 1.0 Cu Cu6 1 0.34156082 0.02088634 0.44078341 1.0 Cu Cu7 1 0.84156082 0.47911366 0.05921659 1.0 Cu Cu8 1 0.72179455 0.91151873 0.83900281 1.0 Cu Cu9 1 0.22179455 0.58848127 0.66099719 1.0 Cu Cu10 1 0.48554465 0.25000000 0.58920792 1.0 Cu Cu11 1 0.65843918 0.52088634 0.55921659 1.0 Cu Cu12 1 0.72179455 0.58848127 0.83900281 1.0 Cu Cu13 1 0.01445535 0.75000000 0.08920792 1.0 Cu Cu14 1 0.15843918 0.97911366 0.94078341 1.0 Cu Cu15 1 0.22179455 0.91151873 0.66099719 1.0 Cu Cu16 1 0.91944059 0.75000000 0.67183039 1.0 Cu Cu17 1 0.34156082 0.47911366 0.44078341 1.0 Cu Cu18 1 0.84156082 0.02088634 0.05921659 1.0 Cu Cu19 1 0.48538650 0.25000000 0.84046029 1.0 Cu Cu20 1 0.58055941 0.25000000 0.17183039 1.0 Cu Cu21 1 0.77820545 0.08848127 0.33900281 1.0 Cu Cu22 1 0.27820545 0.41151873 0.16099719 1.0 Cu Cu23 1 0.77820545 0.41151873 0.33900281 1.0 Cu Cu24 1 0.65843918 0.97911366 0.55921659 1.0 Cu Cu25 1 0.98554465 0.25000000 0.91079208 1.0 Cu Cu26 1 0.15843918 0.52088634 0.94078341 1.0 Cu Cu27 1 0.08055941 0.25000000 0.32816961 1.0 S S28 1 0.20986154 0.25000000 0.51517281 1.0 S S29 1 0.00873125 -0.00015548 0.23079746 1.0 S S30 1 0.79013846 0.75000000 0.48482719 1.0 S S31 1 0.50873125 0.50015548 0.26920254 1.0 S S32 1 0.49126875 0.49984452 0.73079746 1.0 S S33 1 0.73621200 0.75000000 0.01683828 1.0 S S34 1 0.99126875 0.00015548 0.76920254 1.0 S S35 1 0.23621200 0.75000000 0.48316172 1.0 S S36 1 0.99126875 0.49984452 0.76920254 1.0 S S37 1 0.50873125 -0.00015548 0.26920254 1.0 S S38 1 0.26378800 0.25000000 0.98316172 1.0 S S39 1 0.00873125 0.50015548 0.23079746 1.0 S S40 1 0.29013846 0.75000000 0.01517281 1.0 S S41 1 0.49126875 0.00015548 0.73079746 1.0 S S42 1 0.76378800 0.25000000 0.51683828 1.0 S S43 1 0.70986154 0.25000000 0.98482719 1.0