# generated using pymatgen data_Cu4Bi5PbS11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.07417290 _cell_length_b 9.07417290 _cell_length_c 27.19403970 _cell_angle_alpha 87.85562497 _cell_angle_beta 87.85562497 _cell_angle_gamma 25.16462998 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4Bi5PbS11 _chemical_formula_sum 'Cu8 Bi10 Pb2 S22' _cell_volume 951.44296448 _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 0.37099800 0.37099800 0.42213100 1.0 Cu Cu1 1 0.30463600 0.30463600 0.78750400 1.0 Cu Cu2 1 0.69536400 0.69536400 0.21249600 1.0 Cu Cu3 1 0.79843200 0.79843200 0.02620100 1.0 Cu Cu4 1 0.49111700 0.49111700 0.76664400 1.0 Cu Cu5 1 0.50888300 0.50888300 0.23335600 1.0 Cu Cu6 1 0.20156800 0.20156800 0.97379900 1.0 Cu Cu7 1 0.62900200 0.62900200 0.57786900 1.0 Bi Bi8 1 0.31529500 0.31529500 0.55224900 1.0 Bi Bi9 1 0.94078800 0.94078800 0.65544700 1.0 Bi Bi10 1 0.17107000 0.17107000 0.70529800 1.0 Bi Bi11 1 0.37240600 0.37240600 0.15039600 1.0 Bi Bi12 1 0.82893000 0.82893000 0.29470200 1.0 Bi Bi13 1 0.62759400 0.62759400 0.84960400 1.0 Bi Bi14 1 0.12825300 0.12825300 0.10010000 1.0 Bi Bi15 1 0.05921200 0.05921200 0.34455300 1.0 Bi Bi16 1 0.68470500 0.68470500 0.44775100 1.0 Bi Bi17 1 0.87174700 0.87174700 0.89990000 1.0 Pb Pb18 1 0.50000000 0.50000000 0.00000000 1.0 Pb Pb19 1 0.00000000 0.00000000 0.50000000 1.0 S S20 1 0.84590700 0.84590700 0.46610000 1.0 S S21 1 0.98814300 0.98814300 0.07699000 1.0 S S22 1 0.93886900 0.93886900 0.22743500 1.0 S S23 1 0.26432000 0.26432000 0.22218700 1.0 S S24 1 0.59612000 0.59612000 0.65818300 1.0 S S25 1 0.53768600 0.53768600 0.42558900 1.0 S S26 1 0.40388000 0.40388000 0.34181700 1.0 S S27 1 0.73568000 0.73568000 0.77781300 1.0 S S28 1 0.79019400 0.79019400 0.11015600 1.0 S S29 1 0.01185700 0.01185700 0.92301000 1.0 S S30 1 0.66167700 0.66167700 0.01150800 1.0 S S31 1 0.59330200 0.59330200 0.16379800 1.0 S S32 1 0.20980600 0.20980600 0.88984400 1.0 S S33 1 0.40669800 0.40669800 0.83620200 1.0 S S34 1 0.61007800 0.61007800 0.28508900 1.0 S S35 1 0.06113100 0.06113100 0.77256500 1.0 S S36 1 0.33832300 0.33832300 0.98849200 1.0 S S37 1 0.79854100 0.79854100 0.62093200 1.0 S S38 1 0.46231400 0.46231400 0.57441100 1.0 S S39 1 0.20145900 0.20145900 0.37906800 1.0 S S40 1 0.38992200 0.38992200 0.71491100 1.0 S S41 1 0.15409300 0.15409300 0.53390000 1.0