data_[Fe2H8Cl4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8143]
_cell_length_b [8.5310]
_cell_length_c [3.7289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FeH4(ClO)2]
_chemical_formula_sum '[Fe2 H8 Cl4 O4]'
_cell_volume [241.9482]
_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  2  0.0000  0.0000  0.0000  1.0
  H  H1  8  0.0902  0.3131  0.1520  1.0
  Cl  Cl2  4  0.2306  0.0000  0.6002  1.0
  O  O3  4  0.0000  0.2446  0.0000  1.0
]