# generated using pymatgen data_Cu8Ge5C4(S2N)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.47302200 _cell_length_b 11.47302200 _cell_length_c 17.50758000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu8Ge5C4(S2N)8 _chemical_formula_sum 'Cu16 Ge10 C8 S32 N16' _cell_volume 2304.52684889 _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 0.13313100 0.86297800 0.59092800 1.0 Cu Cu1 1 0.86686900 0.13702200 0.59092800 1.0 Cu Cu2 1 0.13702200 0.86686900 0.90907200 1.0 Cu Cu3 1 0.86686900 0.86297800 0.40907200 1.0 Cu Cu4 1 0.13702200 0.13313100 0.90907200 1.0 Cu Cu5 1 0.86297800 0.13313100 0.09092800 1.0 Cu Cu6 1 0.13313100 0.86297800 0.40907200 1.0 Cu Cu7 1 0.13313100 0.13702200 0.40907200 1.0 Cu Cu8 1 0.86297800 0.86686900 0.09092800 1.0 Cu Cu9 1 0.86686900 0.13702200 0.40907200 1.0 Cu Cu10 1 0.86297800 0.13313100 0.90907200 1.0 Cu Cu11 1 0.86686900 0.86297800 0.59092800 1.0 Cu Cu12 1 0.86297800 0.86686900 0.90907200 1.0 Cu Cu13 1 0.13702200 0.86686900 0.09092800 1.0 Cu Cu14 1 0.13313100 0.13702200 0.59092800 1.0 Cu Cu15 1 0.13702200 0.13313100 0.09092800 1.0 Ge Ge16 1 0.62851400 0.00000000 0.00000000 1.0 Ge Ge17 1 0.00000000 0.37156600 0.00000000 1.0 Ge Ge18 1 0.00000000 0.37148600 0.50000000 1.0 Ge Ge19 1 0.37156600 0.00000000 0.50000000 1.0 Ge Ge20 1 0.00000000 0.62851400 0.50000000 1.0 Ge Ge21 1 0.62843400 0.00000000 0.50000000 1.0 Ge Ge22 1 0.00000000 0.00000000 0.75000000 1.0 Ge Ge23 1 0.00000000 0.00000000 0.25000000 1.0 Ge Ge24 1 0.37148600 0.00000000 0.00000000 1.0 Ge Ge25 1 0.00000000 0.62843400 0.00000000 1.0 C C26 1 0.50000000 0.82652000 0.74210000 1.0 C C27 1 0.50000000 0.17348000 0.74210000 1.0 C C28 1 0.17348000 0.50000000 0.24210000 1.0 C C29 1 0.50000000 0.17348000 0.25790000 1.0 C C30 1 0.82652000 0.50000000 0.75790000 1.0 C C31 1 0.82652000 0.50000000 0.24210000 1.0 C C32 1 0.17348000 0.50000000 0.75790000 1.0 C C33 1 0.50000000 0.82652000 0.25790000 1.0 S S34 1 0.00000000 0.83357300 0.68133800 1.0 S S35 1 0.26832000 0.00000000 0.39009100 1.0 S S36 1 0.00000000 0.50000000 0.40249500 1.0 S S37 1 0.00000000 0.83357300 0.31866200 1.0 S S38 1 0.00000000 0.73168000 0.10990900 1.0 S S39 1 0.50000000 0.00000000 0.90249500 1.0 S S40 1 0.83257200 0.26864700 0.50000000 1.0 S S41 1 0.73168000 0.00000000 0.39009100 1.0 S S42 1 0.16742800 0.26864700 0.50000000 1.0 S S43 1 0.16642700 0.00000000 0.81866200 1.0 S S44 1 0.50000000 0.14958300 0.50000000 1.0 S S45 1 0.00000000 0.73168000 0.89009100 1.0 S S46 1 0.50000000 0.00000000 0.09750500 1.0 S S47 1 0.83257200 0.73135300 0.50000000 1.0 S S48 1 0.83357300 0.00000000 0.18133800 1.0 S S49 1 0.85041700 0.50000000 0.00000000 1.0 S S50 1 0.73168000 0.00000000 0.60990900 1.0 S S51 1 0.16642700 0.00000000 0.18133800 1.0 S S52 1 0.26832000 0.00000000 0.60990900 1.0 S S53 1 0.00000000 0.26832000 0.10990900 1.0 S S54 1 0.14958300 0.50000000 0.00000000 1.0 S S55 1 0.00000000 0.26832000 0.89009100 1.0 S S56 1 0.73135300 0.16742800 0.00000000 1.0 S S57 1 0.00000000 0.50000000 0.59750500 1.0 S S58 1 0.00000000 0.16642700 0.31866200 1.0 S S59 1 0.73135300 0.83257200 0.00000000 1.0 S S60 1 0.83357300 0.00000000 0.81866200 1.0 S S61 1 0.26864700 0.83257200 0.00000000 1.0 S S62 1 0.16742800 0.73135300 0.50000000 1.0 S S63 1 0.50000000 0.85041700 0.50000000 1.0 S S64 1 0.26864700 0.16742800 0.00000000 1.0 S S65 1 0.00000000 0.16642700 0.68133800 1.0 N N66 1 0.39238700 0.82599200 0.74340600 1.0 N N67 1 0.82599200 0.60761300 0.75659400 1.0 N N68 1 0.82599200 0.39238700 0.24340600 1.0 N N69 1 0.39238700 0.17400800 0.25659400 1.0 N N70 1 0.60761300 0.82599200 0.25659400 1.0 N N71 1 0.82599200 0.60761300 0.24340600 1.0 N N72 1 0.60761300 0.17400800 0.74340600 1.0 N N73 1 0.60761300 0.17400800 0.25659400 1.0 N N74 1 0.82599200 0.39238700 0.75659400 1.0 N N75 1 0.17400800 0.60761300 0.24340600 1.0 N N76 1 0.17400800 0.39238700 0.24340600 1.0 N N77 1 0.17400800 0.60761300 0.75659400 1.0 N N78 1 0.39238700 0.17400800 0.74340600 1.0 N N79 1 0.17400800 0.39238700 0.75659400 1.0 N N80 1 0.39238700 0.82599200 0.25659400 1.0 N N81 1 0.60761300 0.82599200 0.74340600 1.0