data_image0 _chemical_formula_structural CuS2CuS3Cu2S9 _chemical_formula_sum "Cu4 S14" _cell_length_a 6.105976791957563 _cell_length_b 11.207664536674143 _cell_length_c 33.113058717843074 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.00407177767869 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 Cu1 1.0 0.3869174785181515 0.046534791309053365 0.5104335662260127 1.0000 S S1 1.0 0.1683303058681724 0.18635754916699152 0.5398439607262111 1.0000 S S2 1.0 0.706856604748028 0.06801853921448907 0.5518149792714233 1.0000 Cu Cu2 1.0 0.3250438185573528 0.3180295002631489 0.4895645551241288 1.0000 S S3 1.0 0.5436689212071758 0.17825500652155893 0.46014918282947764 1.0000 S S4 1.0 0.004948523619935458 0.296515117693405 0.4481976070668089 1.0000 S S5 1.0 0.8559879677909962 0.18229522088205288 0.4999889062220236 1.0000 Cu Cu3 1.0 0.8250108371379219 0.5466026388576032 0.5104150831856746 1.0000 Cu Cu4 1.0 0.8869056277175122 0.8179898424192961 0.48957642445952754 1.0000 S S6 1.0 0.3559375659985155 0.6823014273467847 0.5000012620724295 1.0000 S S7 1.0 0.6683357265238256 0.678275558624043 0.4601265343630103 1.0000 S S8 1.0 0.04361271672886107 0.6863440190460158 0.539850550875489 1.0000 S S9 1.0 0.5052063421513362 0.5679844475746344 0.5518360335028051 1.0000 S S10 1.0 0.2071414240626844 0.7964801178258374 0.4481915381620389 1.0000 S S11 1.0 0.6327462490717816 0.9021846517098533 0.5306908802879887 1.0000 S S12 1.0 0.07919034953950235 0.46235381338732356 0.46931388768461907 1.0000 S S13 1.0 0.5792186570928396 0.4021282724185294 0.5307154675665889 1.0000 S S14 1.0 0.13287402565806955 0.9623573317339611 0.4692895184468849 1.0000