# generated using pymatgen data_Cr8Cu3GeS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00212233 _cell_length_b 7.00212233 _cell_length_c 9.90747515 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr8Cu3GeS16 _chemical_formula_sum 'Cr8 Cu3 Ge1 S16' _cell_volume 485.76070389 _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 Cr Cr0 1 0.25159228 0.50000000 0.11989333 1.0 Cr Cr1 1 0.76010983 0.00000000 0.62357184 1.0 Cr Cr2 1 0.74840772 0.50000000 0.11989333 1.0 Cr Cr3 1 0.23989017 0.00000000 0.62357184 1.0 Cr Cr4 1 0.00000000 0.23989017 0.37642816 1.0 Cr Cr5 1 0.50000000 0.74840772 0.88010667 1.0 Cr Cr6 1 0.50000000 0.25159228 0.88010667 1.0 Cr Cr7 1 0.00000000 0.76010983 0.37642816 1.0 Cu Cu8 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu9 1 0.50000000 0.00000000 0.24702787 1.0 Cu Cu10 1 0.00000000 0.50000000 0.75297213 1.0 Ge Ge11 1 0.50000000 0.50000000 0.50000000 1.0 S S12 1 0.76427169 0.50000000 0.36815642 1.0 S S13 1 0.26600910 0.00000000 0.86525529 1.0 S S14 1 0.23572831 0.50000000 0.36815642 1.0 S S15 1 0.73399090 0.00000000 0.86525529 1.0 S S16 1 0.50000000 0.23572831 0.63184358 1.0 S S17 1 0.00000000 0.73399090 0.13474471 1.0 S S18 1 0.50000000 0.76427169 0.63184358 1.0 S S19 1 0.00000000 0.26600910 0.13474471 1.0 S S20 1 0.23465750 0.00000000 0.38173854 1.0 S S21 1 0.73528541 0.50000000 0.88339385 1.0 S S22 1 0.76534250 0.00000000 0.38173854 1.0 S S23 1 0.26471459 0.50000000 0.88339385 1.0 S S24 1 0.50000000 0.26471459 0.11660615 1.0 S S25 1 0.00000000 0.76534250 0.61826146 1.0 S S26 1 0.50000000 0.73528541 0.11660615 1.0 S S27 1 0.00000000 0.23465750 0.61826146 1.0