# generated using pymatgen
data_BaFe2S2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11247300
_cell_length_b   6.68942900
_cell_length_c   9.84407800
_cell_angle_alpha   90.00207854
_cell_angle_beta   89.99733882
_cell_angle_gamma   89.99960478
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFe2S2O
_chemical_formula_sum   'Ba2 Fe4 S4 O2'
_cell_volume   270.81153203
_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
  Ba  Ba0  1  0.49999300  0.02608600  0.49999200  1.0
  Ba  Ba1  1  0.00000900  0.97391200  0.99999000  1.0
  Fe  Fe2  1  0.49996900  0.37751300  0.83446100  1.0
  Fe  Fe3  1  0.99992900  0.62249900  0.33447000  1.0
  Fe  Fe4  1  0.49999300  0.37752900  0.16558100  1.0
  Fe  Fe5  1  0.00007400  0.62245600  0.66557600  1.0
  S  S6  1  0.50000900  0.73200700  0.21070900  1.0
  S  S7  1  0.50000500  0.73200800  0.78926900  1.0
  S  S8  1  0.00002500  0.26799200  0.71070900  1.0
  S  S9  1  0.99998400  0.26799100  0.28927900  1.0
  O  O10  1  0.50002700  0.22351300  0.99998200  1.0
  O  O11  1  0.99998200  0.77649400  0.49998000  1.0