# generated using pymatgen data_Sc10Mn17S32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.34757700 _cell_length_b 7.39468923 _cell_length_c 24.09356320 _cell_angle_alpha 82.46131093 _cell_angle_beta 82.34287462 _cell_angle_gamma 61.20909534 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc10Mn17S32 _chemical_formula_sum 'Sc10 Mn17 S32' _cell_volume 1133.63272598 _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 Sc Sc0 1 0.12027300 0.62893500 0.12261000 1.0 Sc Sc1 1 0.63216400 0.13227900 0.12460600 1.0 Sc Sc2 1 0.51431800 0.49197500 0.00377100 1.0 Sc Sc3 1 0.26435700 0.71621800 0.25611200 1.0 Sc Sc4 1 0.51403900 0.96430700 0.50348500 1.0 Sc Sc5 1 0.88275000 0.36762400 0.37572400 1.0 Sc Sc6 1 0.13210900 0.61722300 0.62432600 1.0 Sc Sc7 1 0.76029700 0.21422200 0.75109000 1.0 Sc Sc8 1 0.88491200 0.37644400 0.87517200 1.0 Sc Sc9 1 0.37830400 0.87799600 0.87345400 1.0 Mn Mn10 1 0.42503400 0.03398400 0.00784100 1.0 Mn Mn11 1 0.62127100 0.61448200 0.12079600 1.0 Mn Mn12 1 0.69505100 0.26508700 0.25849700 1.0 Mn Mn13 1 0.37596000 0.87970000 0.37430500 1.0 Mn Mn14 1 0.75266300 0.75001500 0.25583900 1.0 Mn Mn15 1 0.95195900 0.51033100 0.50632000 1.0 Mn Mn16 1 0.87022300 0.86703600 0.37213400 1.0 Mn Mn17 1 0.62701300 0.12963600 0.62340300 1.0 Mn Mn18 1 0.11815600 0.13955900 0.20746000 1.0 Mn Mn19 1 0.00294300 0.00041900 0.50458000 1.0 Mn Mn20 1 0.12127500 0.11732300 0.62092100 1.0 Mn Mn21 1 0.36420900 0.39371800 0.45722600 1.0 Mn Mn22 1 0.25269000 0.25234800 0.75371600 1.0 Mn Mn23 1 0.37434000 0.35870300 0.87365700 1.0 Mn Mn24 1 0.19680900 0.76520100 0.75422600 1.0 Mn Mn25 1 0.61561000 0.64360200 0.70695900 1.0 Mn Mn26 1 0.88351400 0.84096300 0.96374500 1.0 S S27 1 0.31844200 0.31498900 0.06552400 1.0 S S28 1 0.42668300 0.42905200 0.18999200 1.0 S S29 1 0.32413100 0.79697900 0.06530500 1.0 S S30 1 0.80004200 0.32292800 0.06820200 1.0 S S31 1 0.46949200 0.89827000 0.18901800 1.0 S S32 1 0.56260900 0.55373100 0.31797800 1.0 S S33 1 0.89486600 0.48570200 0.18682100 1.0 S S34 1 0.68499000 0.67556500 0.43801600 1.0 S S35 1 0.57919400 0.03333100 0.31502400 1.0 S S36 1 0.80068100 0.82459700 0.06379800 1.0 S S37 1 0.95083400 0.93623800 0.18988000 1.0 S S38 1 0.04472100 0.57051600 0.31477400 1.0 S S39 1 0.71773800 0.15254000 0.43856500 1.0 S S40 1 0.81332800 0.80338100 0.56556700 1.0 S S41 1 0.15414400 0.74155000 0.43443800 1.0 S S42 1 0.93409400 0.92568400 0.68578500 1.0 S S43 1 0.83047500 0.28321500 0.56406800 1.0 S S44 1 0.06475900 0.06406600 0.30882600 1.0 S S45 1 0.19583600 0.19334100 0.43921700 1.0 S S46 1 0.29416700 0.82260200 0.56371800 1.0 S S47 1 0.06134300 0.05722100 0.81357500 1.0 S S48 1 0.96816800 0.40202700 0.68675700 1.0 S S49 1 0.40330700 0.99032100 0.68348900 1.0 S S50 1 0.19163500 0.17907600 0.93433600 1.0 S S51 1 0.08107200 0.53869900 0.81211200 1.0 S S52 1 0.31573300 0.31274200 0.55798400 1.0 S S53 1 0.54783400 0.06961500 0.81061400 1.0 S S54 1 0.44619800 0.44505800 0.68749800 1.0 S S55 1 0.23142800 0.65935700 0.93180900 1.0 S S56 1 0.67540500 0.20009000 0.93548200 1.0 S S57 1 0.57542500 0.55344700 0.80785900 1.0 S S58 1 0.68398200 0.68974000 0.93699500 1.0