# generated using pymatgen
data_FeSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49893300
_cell_length_b   7.10833600
_cell_length_c   7.35732000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSO5
_chemical_formula_sum   'Fe4 S4 O20'
_cell_volume   339.88316474
_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  0.25000000  0.12657400  0.75219600  1.0
  Fe  Fe1  1  0.25000000  0.62657400  0.74780400  1.0
  Fe  Fe2  1  0.75000000  0.87342600  0.24780400  1.0
  Fe  Fe3  1  0.75000000  0.37342600  0.25219600  1.0
  S  S4  1  0.25000000  0.87343600  0.12971400  1.0
  S  S5  1  0.25000000  0.37343600  0.37028600  1.0
  S  S6  1  0.75000000  0.12656400  0.87028600  1.0
  S  S7  1  0.75000000  0.62656400  0.62971400  1.0
  O  O8  1  0.06888900  0.37291100  0.24954800  1.0
  O  O9  1  0.43111100  0.87291100  0.25045200  1.0
  O  O10  1  0.56888900  0.62708900  0.75045200  1.0
  O  O11  1  0.93111100  0.12708900  0.74954800  1.0
  O  O12  1  0.93111100  0.62708900  0.75045200  1.0
  O  O13  1  0.56888900  0.12708900  0.74954800  1.0
  O  O14  1  0.43111100  0.37291100  0.24954800  1.0
  O  O15  1  0.06888900  0.87291100  0.25045200  1.0
  O  O16  1  0.25000000  0.20201500  0.48747300  1.0
  O  O17  1  0.25000000  0.70201500  0.01252700  1.0
  O  O18  1  0.75000000  0.79798500  0.51252700  1.0
  O  O19  1  0.75000000  0.29798500  0.98747300  1.0
  O  O20  1  0.75000000  0.95201400  0.98381000  1.0
  O  O21  1  0.75000000  0.45201400  0.51619000  1.0
  O  O22  1  0.25000000  0.04798600  0.01619000  1.0
  O  O23  1  0.25000000  0.54798600  0.48381000  1.0
  O  O24  1  0.25000000  0.37658900  0.82246800  1.0
  O  O25  1  0.25000000  0.87658900  0.67753200  1.0
  O  O26  1  0.75000000  0.62341100  0.17753200  1.0
  O  O27  1  0.75000000  0.12341100  0.32246800  1.0