data_[Fe8S8O56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [19.5206]
_cell_length_b [6.9901]
_cell_length_c [7.4784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [FeSO7]
_chemical_formula_sum '[Fe8 S8 O56]'
_cell_volume [1020.4321]
_cell_formula_units_Z [8]
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  8  0.1269  0.5009  0.7960  1
  S  S1  4  0.1202  0.2500  0.4484  1
  S  S2  4  0.1272  0.7500  0.1389  1
  O  O3  8  0.0350  0.0343  0.7774  1
  O  O4  8  0.1029  0.5731  0.0347  1
  O  O5  8  0.1434  0.0742  0.5491  1
  O  O6  8  0.2167  0.5397  0.8257  1
  O  O7  4  0.0457  0.2500  0.4178  1
  O  O8  4  0.0922  0.7500  0.3086  1
  O  O9  4  0.1244  0.2500  0.8778  1
  O  O10  4  0.1292  0.7500  0.7108  1
  O  O11  4  0.1555  0.2500  0.2751  1
  O  O12  4  0.2027  0.7500  0.1466  1
]