# generated using pymatgen data_Fe2Te2SO13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78652800 _cell_length_b 9.71931600 _cell_length_c 14.96155400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2Te2SO13 _chemical_formula_sum 'Fe8 Te8 S4 O52' _cell_volume 1132.28630987 _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 0.45313500 0.79240500 0.49277500 1.0 Fe Fe1 1 0.54686500 0.29240500 0.50722500 1.0 Fe Fe2 1 0.95313500 0.29240500 0.00722500 1.0 Fe Fe3 1 0.04686500 0.79240500 0.99277500 1.0 Fe Fe4 1 0.46186400 0.79126400 0.96870000 1.0 Fe Fe5 1 0.53813600 0.29126400 0.03130000 1.0 Fe Fe6 1 0.96186400 0.29126400 0.53130000 1.0 Fe Fe7 1 0.03813600 0.79126400 0.46870000 1.0 Te Te8 1 0.28450900 0.49922000 0.89453600 1.0 Te Te9 1 0.71549100 0.99922000 0.10546400 1.0 Te Te10 1 0.78450900 0.99922000 0.60546400 1.0 Te Te11 1 0.21549100 0.49922000 0.39453600 1.0 Te Te12 1 0.29780400 0.05445000 0.59303300 1.0 Te Te13 1 0.70219600 0.55445000 0.40696700 1.0 Te Te14 1 0.79780400 0.55445000 0.90696700 1.0 Te Te15 1 0.20219600 0.05445000 0.09303300 1.0 S S16 1 0.21268200 0.74628400 0.66127900 1.0 S S17 1 0.78731800 0.24628400 0.33872100 1.0 S S18 1 0.71268200 0.24628400 0.83872100 1.0 S S19 1 0.28731800 0.74628400 0.16127900 1.0 O O20 1 0.46832900 0.89555500 0.85167700 1.0 O O21 1 0.53167100 0.39555500 0.14832300 1.0 O O22 1 0.96832900 0.39555500 0.64832300 1.0 O O23 1 0.03167100 0.89555500 0.35167700 1.0 O O24 1 0.47021900 0.33700100 0.61469600 1.0 O O25 1 0.52978100 0.83700100 0.38530400 1.0 O O26 1 0.97021900 0.83700100 0.88530400 1.0 O O27 1 0.02978100 0.33700100 0.11469600 1.0 O O28 1 0.25082900 0.91816600 0.50079600 1.0 O O29 1 0.74917100 0.41816600 0.49920400 1.0 O O30 1 0.75082900 0.41816600 0.99920400 1.0 O O31 1 0.24917100 0.91816600 0.00079600 1.0 O O32 1 0.24937700 0.68013500 0.93838500 1.0 O O33 1 0.75062300 0.18013500 0.06161500 1.0 O O34 1 0.74937700 0.18013500 0.56161500 1.0 O O35 1 0.25062300 0.68013500 0.43838500 1.0 O O36 1 0.15133600 0.41184600 0.50182500 1.0 O O37 1 0.84866400 0.91184600 0.49817500 1.0 O O38 1 0.65133600 0.91184600 0.99817500 1.0 O O39 1 0.34866400 0.41184600 0.00182500 1.0 O O40 1 0.06219300 0.11836000 0.58889200 1.0 O O41 1 0.93780700 0.61836000 0.41110800 1.0 O O42 1 0.56219300 0.61836000 0.91110800 1.0 O O43 1 0.43780700 0.11836000 0.08889200 1.0 O O44 1 0.03576100 0.45191000 0.91719300 1.0 O O45 1 0.96423900 0.95191000 0.08280700 1.0 O O46 1 0.53576100 0.95191000 0.58280700 1.0 O O47 1 0.46423900 0.45191000 0.41719300 1.0 O O48 1 0.12875700 0.16782800 0.99500000 1.0 O O49 1 0.87124300 0.66782800 0.00500000 1.0 O O50 1 0.62875700 0.66782800 0.50500000 1.0 O O51 1 0.37124300 0.16782800 0.49500000 1.0 O O52 1 0.05566400 0.73753400 0.60396400 1.0 O O53 1 0.94433600 0.23753400 0.39603600 1.0 O O54 1 0.55566400 0.23753400 0.89603600 1.0 O O55 1 0.44433600 0.73753400 0.10396400 1.0 O O56 1 0.36924000 0.70613200 0.61029500 1.0 O O57 1 0.63076000 0.20613200 0.38970500 1.0 O O58 1 0.86924000 0.20613200 0.88970500 1.0 O O59 1 0.13076000 0.70613200 0.11029500 1.0 O O60 1 0.23267200 0.90297800 0.68801100 1.0 O O61 1 0.76732800 0.40297800 0.31198900 1.0 O O62 1 0.73267200 0.40297800 0.81198900 1.0 O O63 1 0.26732800 0.90297800 0.18801100 1.0 O O64 1 0.19824400 0.66841000 0.74215400 1.0 O O65 1 0.80175600 0.16841000 0.25784600 1.0 O O66 1 0.69824400 0.16841000 0.75784600 1.0 O O67 1 0.30175600 0.66841000 0.24215400 1.0 O O68 1 0.36826900 0.17290100 0.68599400 1.0 O O69 1 0.63173100 0.67290100 0.31400600 1.0 O O70 1 0.86826900 0.67290100 0.81400600 1.0 O O71 1 0.13173100 0.17290100 0.18599400 1.0