# generated using pymatgen data_In9Pb4S17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90496500 _cell_length_b 15.48829100 _cell_length_c 23.02619300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In9Pb4S17 _chemical_formula_sum 'In18 Pb8 S34' _cell_volume 1392.65257306 _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 In In0 1 0.50000000 0.06704600 0.86410200 1.0 In In1 1 0.50000000 0.93295400 0.13589800 1.0 In In2 1 0.50000000 0.56704600 0.63589800 1.0 In In3 1 0.50000000 0.43295400 0.36410200 1.0 In In4 1 0.50000000 0.26933800 0.61010000 1.0 In In5 1 0.50000000 0.73066200 0.38990000 1.0 In In6 1 0.50000000 0.76933800 0.88990000 1.0 In In7 1 0.50000000 0.23066200 0.11010000 1.0 In In8 1 0.00000000 0.16759300 0.73907200 1.0 In In9 1 0.00000000 0.83240700 0.26092800 1.0 In In10 1 0.00000000 0.66759300 0.76092800 1.0 In In11 1 0.00000000 0.33240700 0.23907200 1.0 In In12 1 0.00000000 0.50000000 0.50000000 1.0 In In13 1 0.00000000 0.00000000 0.00000000 1.0 In In14 1 0.00000000 0.05126200 0.57795400 1.0 In In15 1 0.00000000 0.94873800 0.42204600 1.0 In In16 1 0.00000000 0.55126200 0.92204600 1.0 In In17 1 0.00000000 0.44873800 0.07795400 1.0 Pb Pb18 1 0.50000000 0.29492500 0.93617400 1.0 Pb Pb19 1 0.50000000 0.70507500 0.06382600 1.0 Pb Pb20 1 0.50000000 0.79492500 0.56382600 1.0 Pb Pb21 1 0.50000000 0.20507500 0.43617400 1.0 Pb Pb22 1 0.50000000 0.40816500 0.78110300 1.0 Pb Pb23 1 0.50000000 0.59183500 0.21889700 1.0 Pb Pb24 1 0.50000000 0.90816500 0.71889700 1.0 Pb Pb25 1 0.50000000 0.09183500 0.28110300 1.0 S S26 1 0.50000000 0.06738200 0.06675600 1.0 S S27 1 0.50000000 0.93261800 0.93324400 1.0 S S28 1 0.50000000 0.56738200 0.43324400 1.0 S S29 1 0.50000000 0.43261800 0.56675600 1.0 S S30 1 0.50000000 0.50000000 0.00000000 1.0 S S31 1 0.50000000 0.00000000 0.50000000 1.0 S S32 1 0.00000000 0.21293200 0.54040600 1.0 S S33 1 0.00000000 0.78706800 0.45959400 1.0 S S34 1 0.00000000 0.71293200 0.95959400 1.0 S S35 1 0.00000000 0.28706800 0.04040600 1.0 S S36 1 0.00000000 0.02089400 0.79001800 1.0 S S37 1 0.00000000 0.97910600 0.20998200 1.0 S S38 1 0.00000000 0.52089400 0.70998200 1.0 S S39 1 0.00000000 0.47910600 0.29001800 1.0 S S40 1 0.00000000 0.30849500 0.68208500 1.0 S S41 1 0.50000000 0.10410500 0.65689500 1.0 S S42 1 0.50000000 0.60410500 0.84310500 1.0 S S43 1 0.50000000 0.39589500 0.15689500 1.0 S S44 1 0.50000000 0.21929600 0.80632100 1.0 S S45 1 0.50000000 0.78070400 0.19367900 1.0 S S46 1 0.50000000 0.71929600 0.69367900 1.0 S S47 1 0.50000000 0.28070400 0.30632100 1.0 S S48 1 0.00000000 0.13152100 0.92904300 1.0 S S49 1 0.00000000 0.86847900 0.07095700 1.0 S S50 1 0.00000000 0.63152100 0.57095700 1.0 S S51 1 0.00000000 0.36847900 0.42904300 1.0 S S52 1 0.00000000 0.10208000 0.37265200 1.0 S S53 1 0.00000000 0.89792000 0.62734800 1.0 S S54 1 0.00000000 0.60208000 0.12734800 1.0 S S55 1 0.00000000 0.39792000 0.87265200 1.0 S S56 1 0.00000000 0.19150500 0.18208500 1.0 S S57 1 0.00000000 0.80849500 0.81791500 1.0 S S58 1 0.00000000 0.69150500 0.31791500 1.0 S S59 1 0.50000000 0.89589500 0.34310500 1.0