# generated using pymatgen data_Cu6AgBi12PbS22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99412500 _cell_length_b 17.83886800 _cell_length_c 28.75339579 _cell_angle_alpha 74.38351049 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu6AgBi12PbS22 _chemical_formula_sum 'Cu12 Ag2 Bi24 Pb2 S44' _cell_volume 1973.07123625 _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 0.25000000 0.87659800 0.69393100 1.0 Cu Cu1 1 0.25000000 0.65790100 0.49426200 1.0 Cu Cu2 1 0.75000000 0.34209900 0.50573800 1.0 Cu Cu3 1 0.25000000 0.83655900 0.51044600 1.0 Cu Cu4 1 0.75000000 0.77914400 0.25186300 1.0 Cu Cu5 1 0.75000000 0.16344100 0.48955400 1.0 Cu Cu6 1 0.25000000 0.69010300 0.06427500 1.0 Cu Cu7 1 0.75000000 0.36787700 0.69561900 1.0 Cu Cu8 1 0.25000000 0.63212300 0.30438100 1.0 Cu Cu9 1 0.75000000 0.12340200 0.30606900 1.0 Cu Cu10 1 0.25000000 0.22085600 0.74813700 1.0 Cu Cu11 1 0.75000000 0.30989700 0.93572500 1.0 Ag Ag12 1 0.75000000 0.41008100 0.00061400 1.0 Ag Ag13 1 0.25000000 0.58991900 0.99938600 1.0 Bi Bi14 1 0.25000000 0.90333200 0.13472300 1.0 Bi Bi15 1 0.75000000 0.89624400 0.00444900 1.0 Bi Bi16 1 0.75000000 0.09666800 0.86527700 1.0 Bi Bi17 1 0.75000000 0.72736200 0.62072000 1.0 Bi Bi18 1 0.25000000 0.10375600 0.99555100 1.0 Bi Bi19 1 0.25000000 0.52023900 0.87488500 1.0 Bi Bi20 1 0.25000000 0.22960400 0.61850200 1.0 Bi Bi21 1 0.25000000 0.88384200 0.81612700 1.0 Bi Bi22 1 0.25000000 0.28066900 0.08341300 1.0 Bi Bi23 1 0.25000000 0.54025900 0.71978200 1.0 Bi Bi24 1 0.25000000 0.29250200 0.22818000 1.0 Bi Bi25 1 0.75000000 0.45974100 0.28021800 1.0 Bi Bi26 1 0.75000000 0.05635600 0.71733500 1.0 Bi Bi27 1 0.75000000 0.51695200 0.42996100 1.0 Bi Bi28 1 0.75000000 0.47976100 0.12511500 1.0 Bi Bi29 1 0.75000000 0.98602100 0.56874800 1.0 Bi Bi30 1 0.25000000 0.01397900 0.43125200 1.0 Bi Bi31 1 0.25000000 0.27263800 0.37928000 1.0 Bi Bi32 1 0.75000000 0.11615800 0.18387300 1.0 Bi Bi33 1 0.75000000 0.71933100 0.91658700 1.0 Bi Bi34 1 0.75000000 0.70749800 0.77182000 1.0 Bi Bi35 1 0.75000000 0.77039600 0.38149800 1.0 Bi Bi36 1 0.25000000 0.94364400 0.28266500 1.0 Bi Bi37 1 0.25000000 0.48304800 0.57003900 1.0 Pb Pb38 1 0.25000000 0.65816500 0.18071300 1.0 Pb Pb39 1 0.75000000 0.34183500 0.81928700 1.0 S S40 1 0.25000000 0.79225900 0.29150800 1.0 S S41 1 0.75000000 0.53746400 0.93922800 1.0 S S42 1 0.25000000 0.07503700 0.64799800 1.0 S S43 1 0.25000000 0.36514300 0.89876000 1.0 S S44 1 0.75000000 0.17754400 0.93381900 1.0 S S45 1 0.75000000 0.90931200 0.50254000 1.0 S S46 1 0.25000000 0.12267900 0.11807400 1.0 S S47 1 0.75000000 0.21743600 0.55815700 1.0 S S48 1 0.25000000 0.12970800 0.26230300 1.0 S S49 1 0.25000000 0.70462800 0.84420500 1.0 S S50 1 0.75000000 0.11032700 0.38545400 1.0 S S51 1 0.75000000 0.92496300 0.35200200 1.0 S S52 1 0.75000000 0.99464500 0.05750000 1.0 S S53 1 0.25000000 0.09068800 0.49746000 1.0 S S54 1 0.25000000 0.70733400 0.70539400 1.0 S S55 1 0.75000000 0.62046600 0.26557900 1.0 S S56 1 0.25000000 0.82245600 0.06618100 1.0 S S57 1 0.25000000 0.88967300 0.61454600 1.0 S S58 1 0.75000000 0.26615000 0.02123800 1.0 S S59 1 0.75000000 0.79666300 0.17145400 1.0 S S60 1 0.25000000 0.03717900 0.79391000 1.0 S S61 1 0.75000000 0.57140600 0.65034900 1.0 S S62 1 0.75000000 0.96282100 0.20609000 1.0 S S63 1 0.75000000 0.29537200 0.15579500 1.0 S S64 1 0.25000000 0.20333700 0.82854600 1.0 S S65 1 0.25000000 0.73385000 0.97876200 1.0 S S66 1 0.75000000 0.29266600 0.29460600 1.0 S S67 1 0.75000000 0.52867200 0.79755200 1.0 S S68 1 0.75000000 0.87029200 0.73769700 1.0 S S69 1 0.25000000 0.61418800 0.38496200 1.0 S S70 1 0.75000000 0.38581200 0.61503800 1.0 S S71 1 0.75000000 0.63485700 0.10124000 1.0 S S72 1 0.25000000 0.46253600 0.06077200 1.0 S S73 1 0.25000000 0.37953400 0.73442100 1.0 S S74 1 0.25000000 0.78256400 0.44184300 1.0 S S75 1 0.75000000 0.87732100 0.88192600 1.0 S S76 1 0.75000000 0.28662300 0.43834500 1.0 S S77 1 0.25000000 0.42859400 0.34965100 1.0 S S78 1 0.25000000 0.41236900 0.50063200 1.0 S S79 1 0.75000000 0.58763100 0.49936800 1.0 S S80 1 0.25000000 0.00535500 0.94250000 1.0 S S81 1 0.25000000 0.47132800 0.20244800 1.0 S S82 1 0.75000000 0.20774100 0.70849200 1.0 S S83 1 0.25000000 0.71337700 0.56165500 1.0