# generated using pymatgen data_As5Pb3S10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.45186000 _cell_length_b 8.41436900 _cell_length_c 27.08260770 _cell_angle_alpha 84.48406990 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural As5Pb3S10 _chemical_formula_sum 'As20 Pb12 S40' _cell_volume 1917.11718865 _cell_formula_units_Z 4 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 As As0 1 0.15292700 0.18547900 0.59298500 1.0 As As1 1 0.98934400 0.01828700 0.32127000 1.0 As As2 1 0.65360900 0.55381000 0.81910100 1.0 As As3 1 0.17309400 0.88793700 0.18005500 1.0 As As4 1 0.34802800 0.01509000 0.90856000 1.0 As As5 1 0.50732900 0.25078700 0.19198300 1.0 As As6 1 0.48934400 0.98171300 0.67873000 1.0 As As7 1 0.00732900 0.74921300 0.80801700 1.0 As As8 1 0.34623400 0.56489100 0.91168600 1.0 As As9 1 0.65292700 0.81452100 0.40701500 1.0 As As10 1 0.15198100 0.73469000 0.58698800 1.0 As As11 1 0.86229500 0.19993600 0.68058200 1.0 As As12 1 0.67309400 0.11206300 0.81994500 1.0 As As13 1 0.24091000 0.18272400 0.30424300 1.0 As As14 1 0.65198100 0.26531000 0.41301200 1.0 As As15 1 0.84802800 0.98491000 0.09144000 1.0 As As16 1 0.84623400 0.43510900 0.08831400 1.0 As As17 1 0.36229500 0.80006400 0.31941800 1.0 As As18 1 0.74091000 0.81727600 0.69575700 1.0 As As19 1 0.15360900 0.44619000 0.18089900 1.0 Pb Pb20 1 0.05490900 0.24593900 0.83184700 1.0 Pb Pb21 1 0.41526900 0.47736000 0.66520400 1.0 Pb Pb22 1 0.26814700 0.00660600 0.45729200 1.0 Pb Pb23 1 0.55490900 0.75406100 0.16815300 1.0 Pb Pb24 1 0.79601900 0.48145300 0.55075600 1.0 Pb Pb25 1 0.91526900 0.52264000 0.33479600 1.0 Pb Pb26 1 0.23665400 0.24210100 0.04291700 1.0 Pb Pb27 1 0.72133800 0.25462400 0.95467400 1.0 Pb Pb28 1 0.73665400 0.75789900 0.95708300 1.0 Pb Pb29 1 0.29601900 0.51854700 0.44924400 1.0 Pb Pb30 1 0.76814700 0.99339400 0.54270800 1.0 Pb Pb31 1 0.22133800 0.74537600 0.04532600 1.0 S S32 1 0.14173000 0.28835600 0.37079200 1.0 S S33 1 0.19406200 0.77947300 0.93440400 1.0 S S34 1 0.02226500 0.26576500 0.13554600 1.0 S S35 1 0.47575200 0.58253700 0.35771200 1.0 S S36 1 0.90146400 0.84883800 0.26163900 1.0 S S37 1 0.80048000 0.03411900 0.43565800 1.0 S S38 1 0.54082600 0.31204100 0.85606800 1.0 S S39 1 0.52226500 0.73423500 0.86445400 1.0 S S40 1 0.40146400 0.15116200 0.73836100 1.0 S S41 1 0.04082600 0.68795900 0.14393200 1.0 S S42 1 0.01057600 0.23901300 0.52211100 1.0 S S43 1 0.34788600 0.97279200 0.11841400 1.0 S S44 1 0.48495700 0.25007600 0.48045100 1.0 S S45 1 0.17529200 0.07548300 0.75334600 1.0 S S46 1 0.30048000 0.96588100 0.56434200 1.0 S S47 1 0.67529200 0.92451700 0.24665400 1.0 S S48 1 0.62226600 0.20287900 0.63470600 1.0 S S49 1 0.69358200 0.78928400 0.06855800 1.0 S S50 1 0.97575200 0.41746300 0.64228800 1.0 S S51 1 0.99288400 0.49586600 0.01825400 1.0 S S52 1 0.69406200 0.22052700 0.06559600 1.0 S S53 1 0.63084000 0.42465200 0.23914500 1.0 S S54 1 0.84788600 0.02720800 0.88158600 1.0 S S55 1 0.47781900 0.99780500 0.36162700 1.0 S S56 1 0.50786000 0.99599800 0.97710500 1.0 S S57 1 0.35894100 0.66071100 0.74806100 1.0 S S58 1 0.98495700 0.74992400 0.51954900 1.0 S S59 1 0.85894100 0.33928900 0.25193900 1.0 S S60 1 0.97781900 0.00219500 0.63837300 1.0 S S61 1 0.81191100 0.45698700 0.43625400 1.0 S S62 1 0.13084000 0.57534800 0.76085500 1.0 S S63 1 0.00786000 0.00400200 0.02289500 1.0 S S64 1 0.64173000 0.71164400 0.62920800 1.0 S S65 1 0.51057600 0.76098700 0.47788900 1.0 S S66 1 0.49288400 0.50413400 0.98174600 1.0 S S67 1 0.12226600 0.79712100 0.36529400 1.0 S S68 1 0.39052300 0.44056000 0.13586600 1.0 S S69 1 0.19358200 0.21071600 0.93144200 1.0 S S70 1 0.89052300 0.55944000 0.86413400 1.0 S S71 1 0.31191100 0.54301300 0.56374600 1.0