# generated using pymatgen
data_Fe(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94592682
_cell_length_b   8.94592682
_cell_length_c   8.94592698
_cell_angle_alpha   55.71331887
_cell_angle_beta   55.71331887
_cell_angle_gamma   55.71331565
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(SO4)2
_chemical_formula_sum   'Fe3 S6 O24'
_cell_volume   455.90593403
_cell_formula_units_Z   3
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  0.85115900  0.85115900  0.85115900  1.0
  Fe  Fe1  1  0.35608700  0.35608700  0.35608700  1.0
  Fe  Fe2  1  0.15066600  0.15066600  0.15066600  1.0
  S  S3  1  0.95853100  0.24762400  0.54116100  1.0
  S  S4  1  0.54116100  0.95853100  0.24762400  1.0
  S  S5  1  0.24762400  0.54116100  0.95853100  1.0
  S  S6  1  0.75129900  0.45805900  0.04234700  1.0
  S  S7  1  0.45805900  0.04234700  0.75129900  1.0
  S  S8  1  0.04234700  0.75129900  0.45805900  1.0
  O  O9  1  0.88881700  0.71082100  0.48719800  1.0
  O  O10  1  0.71082100  0.48719800  0.88881700  1.0
  O  O11  1  0.99379200  0.03879400  0.66910600  1.0
  O  O12  1  0.48719800  0.88881700  0.71082100  1.0
  O  O13  1  0.97808200  0.27898500  0.34718400  1.0
  O  O14  1  0.76244400  0.37263900  0.62006200  1.0
  O  O15  1  0.62006200  0.76244400  0.37263900  1.0
  O  O16  1  0.66910600  0.99379200  0.03879400  1.0
  O  O17  1  0.37263900  0.62006200  0.76244400  1.0
  O  O18  1  0.95594300  0.32228100  0.02216500  1.0
  O  O19  1  0.72468500  0.64765800  0.02515100  1.0
  O  O20  1  0.64765800  0.02515100  0.72468500  1.0
  O  O21  1  0.34718400  0.97808200  0.27898500  1.0
  O  O22  1  0.27898500  0.34718400  0.97808200  1.0
  O  O23  1  0.03879400  0.66910600  0.99379200  1.0
  O  O24  1  0.61900800  0.37612000  0.24024600  1.0
  O  O25  1  0.32228100  0.02216500  0.95594300  1.0
  O  O26  1  0.37612000  0.24024600  0.61900800  1.0
  O  O27  1  0.24024600  0.61900800  0.37612000  1.0
  O  O28  1  0.02515100  0.72468500  0.64765800  1.0
  O  O29  1  0.51096500  0.10995800  0.29600200  1.0
  O  O30  1  0.02216500  0.95594300  0.32228100  1.0
  O  O31  1  0.29600200  0.51096500  0.10995800  1.0
  O  O32  1  0.10995800  0.29600200  0.51096500  1.0