# generated using pymatgen data_Sb17S27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77609500 _cell_length_b 8.79109864 _cell_length_c 15.38668102 _cell_angle_alpha 103.69268788 _cell_angle_beta 95.38762489 _cell_angle_gamma 96.58438630 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb17S27 _chemical_formula_sum 'Sb17 S27' _cell_volume 1136.71496349 _cell_formula_units_Z 1 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 Sb Sb0 1 0.61918200 0.33642400 0.92235400 1.0 Sb Sb1 1 0.12129700 0.59735500 0.61192100 1.0 Sb Sb2 1 0.87937900 0.00864600 0.80143500 1.0 Sb Sb3 1 0.54428800 0.05404500 0.39119400 1.0 Sb Sb4 1 0.05241600 0.32931300 0.06593000 1.0 Sb Sb5 1 0.80807200 0.28287700 0.61155400 1.0 Sb Sb6 1 0.28048900 0.99778700 0.92250500 1.0 Sb Sb7 1 0.52663300 0.65797400 0.80135700 1.0 Sb Sb8 1 0.47389300 0.32097600 0.19404400 1.0 Sb Sb9 1 0.71190300 0.99955600 0.06906600 1.0 Sb Sb10 1 0.21281900 0.71887500 0.39204000 1.0 Sb Sb11 1 0.95481300 0.66619800 0.92952000 1.0 Sb Sb12 1 0.44940300 0.95287500 0.60813500 1.0 Sb Sb13 1 0.13967600 0.99407400 0.19627200 1.0 Sb Sb14 1 0.87556200 0.38553200 0.38851500 1.0 Sb Sb15 1 0.38076900 0.65786800 0.06612600 1.0 Sb Sb16 1 0.80262700 0.65685500 0.19693800 1.0 S S17 1 0.15529000 0.01608200 0.77434300 1.0 S S18 1 0.09688200 0.33414500 0.65050600 1.0 S S19 1 0.22009400 0.01804500 0.35545800 1.0 S S20 1 0.56267900 0.02318200 0.87560100 1.0 S S21 1 0.17126900 0.30455900 0.22267500 1.0 S S22 1 0.18008000 0.46487300 0.46032700 1.0 S S23 1 0.48194500 0.20006800 0.53803800 1.0 S S24 1 0.50310400 0.36532600 0.77449200 1.0 S S25 1 0.23708200 0.69036700 0.88287000 1.0 S S26 1 0.09810400 0.64740300 0.12196800 1.0 S S27 1 0.84326000 0.12801800 0.45985800 1.0 S S28 1 0.43852300 0.64201400 0.64278700 1.0 S S29 1 0.55612600 0.35000400 0.35698700 1.0 S S30 1 0.15778300 0.87607700 0.53771600 1.0 S S31 1 0.89972300 0.35431300 0.88197300 1.0 S S32 1 0.32365800 0.34614200 0.00553300 1.0 S S33 1 0.76145600 0.31683800 0.12799100 1.0 S S34 1 0.50716700 0.63880800 0.22368700 1.0 S S35 1 0.51328700 0.79596200 0.46396500 1.0 S S36 1 0.81920300 0.53677400 0.53672900 1.0 S S37 1 0.82670300 0.69469000 0.77585900 1.0 S S38 1 0.43224700 0.98672000 0.12720300 1.0 S S39 1 0.78653000 0.98932300 0.64281300 1.0 S S40 1 0.88795700 0.68367900 0.35772600 1.0 S S41 1 0.66593700 0.67189800 0.00143400 1.0 S S42 1 0.83821900 0.97214000 0.22244800 1.0 S S43 1 0.99514400 0.00163600 0.00092700 1.0