data_[Fe2Cl8]
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 [P2/c]
_cell_length_a [6.4977]
_cell_length_b [7.3147]
_cell_length_c [5.8496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [FeCl4]
_chemical_formula_sum '[Fe2 Cl8]'
_cell_volume [266.4739]
_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  0.5000  0.3705  0.2500  1.0
  Cl  Cl1  4  0.2780  0.1713  0.0469  1.0
  Cl  Cl2  4  0.3030  0.3944  0.5118  1.0
]