data_[Fe2Cl6]
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 [P1]
_cell_length_a [3.7550]
_cell_length_b [7.5916]
_cell_length_c [8.8773]
_cell_angle_alpha [95.0339]
_cell_angle_beta [94.0880]
_cell_angle_gamma [102.7357]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [FeCl3]
_chemical_formula_sum '[Fe2 Cl6]'
_cell_volume [244.8141]
_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  1  0.4173  0.4933  0.1410  1.0
  Fe  Fe1  1  0.6149  0.7895  0.6606  1.0
  Cl  Cl2  1  0.0119  0.6719  0.2145  1.0
  Cl  Cl3  1  0.1631  0.8473  0.8148  1.0
  Cl  Cl4  1  0.1783  0.2315  0.2049  1.0
  Cl  Cl5  1  0.4270  0.4579  0.8998  1.0
  Cl  Cl6  1  0.5309  0.5240  0.5368  1.0
  Cl  Cl7  1  0.6753  0.9934  0.5098  1.0
]