data_[Fe4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7543]
_cell_length_b [3.3389]
_cell_length_c [8.7968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FeCl2]
_chemical_formula_sum '[Fe4 Cl8]'
_cell_volume [324.6478]
_cell_formula_units_Z [4]
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  0.1519  0.0000  0.3574  1.0
  Cl  Cl1  4  0.0013  0.5000  0.2373  1.0
  Cl  Cl2  4  0.2331  0.0000  0.6811  1.0
]