data_[Fe2H2Cl2O2]
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 [Cm]
_cell_length_a [5.9312]
_cell_length_b [3.4943]
_cell_length_c [5.7661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeHClO]
_chemical_formula_sum '[Fe2 H2 Cl2 O2]'
_cell_volume [111.9643]
_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  0.4707  0.0000  0.6123  1.0
  H  H1  2  0.1779  0.5000  0.2730  1.0
  Cl  Cl2  2  0.2378  0.0000  0.9074  1.0
  O  O3  2  0.2427  0.5000  0.4535  1.0
]