data_[Fe4H4Cl14]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7472]
_cell_length_b [11.5631]
_cell_length_c [6.5472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2H2Cl7]
_chemical_formula_sum '[Fe4 H4 Cl14]'
_cell_volume [666.8212]
_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  4  0.2458  0.5000  0.4289  1
  H  H1  4  0.0000  0.3507  0.0000  1
  Cl  Cl2  8  0.1507  0.3367  0.2185  1
  Cl  Cl3  4  0.2154  0.5000  0.7347  1
  Cl  Cl4  2  0.0000  0.0000  0.5000  1
]