# generated using pymatgen data_FeSClO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02202800 _cell_length_b 11.19651600 _cell_length_c 14.12364726 _cell_angle_alpha 77.90217668 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSClO10 _chemical_formula_sum 'Fe4 S4 Cl4 O40' _cell_volume 1085.77152699 _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 Fe Fe0 1 0.16893900 0.67837600 0.08332400 1.0 Fe Fe1 1 0.66893900 0.32162400 0.41667600 1.0 Fe Fe2 1 0.83106100 0.32162400 0.91667600 1.0 Fe Fe3 1 0.33106100 0.67837600 0.58332400 1.0 S S4 1 0.84063600 0.73982400 0.21335100 1.0 S S5 1 0.34063600 0.26017600 0.28664900 1.0 S S6 1 0.15936400 0.26017600 0.78664900 1.0 S S7 1 0.65936400 0.73982400 0.71335100 1.0 Cl Cl8 1 0.15199400 0.82415200 0.88605200 1.0 Cl Cl9 1 0.65199400 0.17584800 0.61394800 1.0 Cl Cl10 1 0.84800600 0.17584800 0.11394800 1.0 Cl Cl11 1 0.34800600 0.82415200 0.38605200 1.0 O O12 1 0.23033900 0.01601600 0.07789700 1.0 O O13 1 0.73033900 0.98398400 0.42210300 1.0 O O14 1 0.76966100 0.98398400 0.92210300 1.0 O O15 1 0.26966100 0.01601600 0.57789700 1.0 O O16 1 0.29034800 0.78697700 0.98070400 1.0 O O17 1 0.79034800 0.21302300 0.51929600 1.0 O O18 1 0.70965200 0.21302300 0.01929600 1.0 O O19 1 0.20965200 0.78697700 0.48070400 1.0 O O20 1 0.14901200 0.54533300 0.05463100 1.0 O O21 1 0.64901200 0.45466700 0.44536900 1.0 O O22 1 0.85098800 0.45466700 0.94536900 1.0 O O23 1 0.35098800 0.54533300 0.55463100 1.0 O O24 1 0.31601900 0.68852600 0.16884900 1.0 O O25 1 0.81601900 0.31147400 0.33115100 1.0 O O26 1 0.68398100 0.31147400 0.83115100 1.0 O O27 1 0.18398100 0.68852600 0.66884900 1.0 O O28 1 0.93724400 0.74216600 0.11288100 1.0 O O29 1 0.43724400 0.25783400 0.38711900 1.0 O O30 1 0.06275600 0.25783400 0.88711900 1.0 O O31 1 0.56275600 0.74216600 0.61288100 1.0 O O32 1 0.57306900 0.52455100 0.00821100 1.0 O O33 1 0.07306900 0.47544900 0.49178900 1.0 O O34 1 0.42693100 0.47544900 0.99178900 1.0 O O35 1 0.92693100 0.52455100 0.50821100 1.0 O O36 1 0.69768900 0.64133300 0.23020500 1.0 O O37 1 0.19768900 0.35866700 0.26979500 1.0 O O38 1 0.30231100 0.35866700 0.76979500 1.0 O O39 1 0.80231100 0.64133300 0.73020500 1.0 O O40 1 0.75253400 0.85996800 0.20453100 1.0 O O41 1 0.25253400 0.14003200 0.29546900 1.0 O O42 1 0.24746600 0.14003200 0.79546900 1.0 O O43 1 0.74746600 0.85996800 0.70453100 1.0 O O44 1 0.98560100 0.71308300 0.28969900 1.0 O O45 1 0.48560100 0.28691700 0.21030100 1.0 O O46 1 0.01439900 0.28691700 0.71030100 1.0 O O47 1 0.51439900 0.71308300 0.78969900 1.0 O O48 1 0.62128900 0.99389100 0.87561600 1.0 O O49 1 0.12128900 0.00610900 0.62438400 1.0 O O50 1 0.37871100 0.00610900 0.12438400 1.0 O O51 1 0.87871100 0.99389100 0.37561600 1.0