# generated using pymatgen
data_FeSO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51189244
_cell_length_b   12.38282270
_cell_length_c   6.45436123
_cell_angle_alpha   95.43714642
_cell_angle_beta   90.02194504
_cell_angle_gamma   104.44277543
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSO8
_chemical_formula_sum   'Fe4 S4 O32'
_cell_volume   655.63083814
_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  0.09938700  0.07082400  0.84446300  1.0
  Fe  Fe1  1  0.90061300  0.92917600  0.15553700  1.0
  Fe  Fe2  1  0.09848700  0.72807500  0.73256400  1.0
  Fe  Fe3  1  0.90151300  0.27192500  0.26743600  1.0
  S  S4  1  0.18028500  0.35630800  0.93798300  1.0
  S  S5  1  0.81971500  0.64369200  0.06201700  1.0
  S  S6  1  0.77825700  0.06696500  0.55601200  1.0
  S  S7  1  0.22174300  0.93303500  0.44398800  1.0
  O  O8  1  0.99423500  0.64881400  0.97744900  1.0
  O  O9  1  0.00576500  0.35118600  0.02255100  1.0
  O  O10  1  0.70245100  0.58463700  0.89986200  1.0
  O  O11  1  0.29754900  0.41536300  0.10013800  1.0
  O  O12  1  0.20109200  0.24172700  0.87539300  1.0
  O  O13  1  0.79890800  0.75827300  0.12460700  1.0
  O  O14  1  0.18154400  0.41252900  0.74789500  1.0
  O  O15  1  0.81845600  0.58747100  0.25210500  1.0
  O  O16  1  0.18892100  0.03147100  0.57729100  1.0
  O  O17  1  0.81107900  0.96852900  0.42270900  1.0
  O  O18  1  0.24744900  0.84416400  0.58052100  1.0
  O  O19  1  0.75255100  0.15583600  0.41947900  1.0
  O  O20  1  0.63123500  0.03205600  0.66817600  1.0
  O  O21  1  0.36876500  0.96794400  0.33182400  1.0
  O  O22  1  0.92537600  0.11961200  0.69048100  1.0
  O  O23  1  0.07462400  0.88038800  0.30951900  1.0
  O  O24  1  0.94645600  0.92073200  0.87130900  1.0
  O  O25  1  0.05354400  0.07926800  0.12869100  1.0
  O  O26  1  0.50598100  0.28965300  0.54377400  1.0
  O  O27  1  0.49401900  0.71034700  0.45622600  1.0
  O  O28  1  0.15561900  0.61906300  0.61542100  1.0
  O  O29  1  0.84438100  0.38093700  0.38457900  1.0
  O  O30  1  0.20485300  0.79796200  0.94887100  1.0
  O  O31  1  0.79514700  0.20203800  0.05112900  1.0
  O  O32  1  0.64877700  0.33137100  0.63152500  1.0
  O  O33  1  0.35122300  0.66862900  0.36847500  1.0
  O  O34  1  0.25595700  0.03492300  0.98000900  1.0
  O  O35  1  0.74404300  0.96507700  0.01999100  1.0
  O  O36  1  0.50633500  0.73725900  0.65070500  1.0
  O  O37  1  0.49366500  0.26274100  0.34929500  1.0
  O  O38  1  0.93172900  0.75224700  0.64871500  1.0
  O  O39  1  0.06827100  0.24775300  0.35128500  1.0