# generated using pymatgen
data_FeSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65679000
_cell_length_b   6.39491200
_cell_length_c   7.17132954
_cell_angle_alpha   69.13280933
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSO7
_chemical_formula_sum   'Fe2 S2 O14'
_cell_volume   285.25675414
_cell_formula_units_Z   2
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  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.00000000  0.00000000  0.00000000  1.0
  S  S2  1  0.25000000  0.32298600  0.62503200  1.0
  S  S3  1  0.75000000  0.67701400  0.37496800  1.0
  O  O4  1  0.43699000  0.24286000  0.76104800  1.0
  O  O5  1  0.93699000  0.75714000  0.23895200  1.0
  O  O6  1  0.56301000  0.75714000  0.23895200  1.0
  O  O7  1  0.06301000  0.24286000  0.76104800  1.0
  O  O8  1  0.25000000  0.56464400  0.56006700  1.0
  O  O9  1  0.75000000  0.43535600  0.43993300  1.0
  O  O10  1  0.25000000  0.22049000  0.47582600  1.0
  O  O11  1  0.75000000  0.77951000  0.52417400  1.0
  O  O12  1  0.75000000  0.98372400  0.90160000  1.0
  O  O13  1  0.25000000  0.01627600  0.09840000  1.0
  O  O14  1  0.34361000  0.74521400  0.88614900  1.0
  O  O15  1  0.84361000  0.25478600  0.11385100  1.0
  O  O16  1  0.65639000  0.25478600  0.11385100  1.0
  O  O17  1  0.15639000  0.74521400  0.88614900  1.0