# generated using pymatgen
data_FeSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08438213
_cell_length_b   6.90645138
_cell_length_c   7.05135700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.56706194
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSO7
_chemical_formula_sum   'Fe2 S2 O14'
_cell_volume   288.04033537
_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  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe1  1  0.00000000  0.00000000  0.00000000  1.0
  S  S2  1  0.33872200  0.36918200  0.25000000  1.0
  S  S3  1  0.66127800  0.63081800  0.75000000  1.0
  O  O4  1  0.26348500  0.24757800  0.42257700  1.0
  O  O5  1  0.73651500  0.75242200  0.92257700  1.0
  O  O6  1  0.73651500  0.75242200  0.57742300  1.0
  O  O7  1  0.26348500  0.24757800  0.07742300  1.0
  O  O8  1  0.58822100  0.43473500  0.25000000  1.0
  O  O9  1  0.41177900  0.56526500  0.75000000  1.0
  O  O10  1  0.26129300  0.55630300  0.25000000  1.0
  O  O11  1  0.73870700  0.44369700  0.75000000  1.0
  O  O12  1  0.08669600  0.07440000  0.75000000  1.0
  O  O13  1  0.91330400  0.92560000  0.25000000  1.0
  O  O14  1  0.79177400  0.14999700  0.45382800  1.0
  O  O15  1  0.20822600  0.85000300  0.95382800  1.0
  O  O16  1  0.20822600  0.85000300  0.54617200  1.0
  O  O17  1  0.79177400  0.14999700  0.04617200  1.0