# generated using pymatgen
data_Fe(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96725041
_cell_length_b   8.96725041
_cell_length_c   8.96725118
_cell_angle_alpha   56.21308920
_cell_angle_beta   56.21308920
_cell_angle_gamma   56.21308915
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(SO4)2
_chemical_formula_sum   'Fe3 S6 O24'
_cell_volume   465.18546945
_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  0.35615100  0.35615100  0.35615100  1.0
  Fe  Fe1  1  0.64349800  0.64349800  0.64349800  1.0
  Fe  Fe2  1  0.85105500  0.85105500  0.85105500  1.0
  S  S3  1  0.46712500  0.74395700  0.03926000  1.0
  S  S4  1  0.74395700  0.03926000  0.46712500  1.0
  S  S5  1  0.03926000  0.46712500  0.74395700  1.0
  S  S6  1  0.96036600  0.53928100  0.24937500  1.0
  S  S7  1  0.24937500  0.96036600  0.53928100  1.0
  S  S8  1  0.53928100  0.24937500  0.96036600  1.0
  O  O9  1  0.51332800  0.29117000  0.11417700  1.0
  O  O10  1  0.11417700  0.51332800  0.29117000  1.0
  O  O11  1  0.33901700  0.94319800  0.00498900  1.0
  O  O12  1  0.29117000  0.11417700  0.51332800  1.0
  O  O13  1  0.65506400  0.71866200  0.02366700  1.0
  O  O14  1  0.38799100  0.61074000  0.23213700  1.0
  O  O15  1  0.61074000  0.23213700  0.38799100  1.0
  O  O16  1  0.94319800  0.00498900  0.33901700  1.0
  O  O17  1  0.23213700  0.38799100  0.61074000  1.0
  O  O18  1  0.98052800  0.67904300  0.04764400  1.0
  O  O19  1  0.97065100  0.35913500  0.27386800  1.0
  O  O20  1  0.27386800  0.97065100  0.35913500  1.0
  O  O21  1  0.71866200  0.02366700  0.65506400  1.0
  O  O22  1  0.02366700  0.65506400  0.71866200  1.0
  O  O23  1  0.00498900  0.33901700  0.94319800  1.0
  O  O24  1  0.76893700  0.62892200  0.38051400  1.0
  O  O25  1  0.04764400  0.98052800  0.67904300  1.0
  O  O26  1  0.38051400  0.76893700  0.62892200  1.0
  O  O27  1  0.62892200  0.38051400  0.76893700  1.0
  O  O28  1  0.35913500  0.27386800  0.97065100  1.0
  O  O29  1  0.67997600  0.89431900  0.50461600  1.0
  O  O30  1  0.67904300  0.04764400  0.98052800  1.0
  O  O31  1  0.89431900  0.50461600  0.67997600  1.0
  O  O32  1  0.50461600  0.67997600  0.89431900  1.0