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 [3.8655]
_cell_length_b [7.5240]
_cell_length_c [7.6706]
_cell_angle_alpha [77.9613]
_cell_angle_beta [78.4015]
_cell_angle_gamma [84.6877]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [FeCl3]
_chemical_formula_sum '[Fe2 Cl6]'
_cell_volume [213.4336]
_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  0.1476  0.7021  0.2220  1
  Fe  Fe1  1  0.2256  0.3265  0.5298  1
  Cl  Cl2  1  0.0125  0.0866  0.5071  1
  Cl  Cl3  1  0.2262  0.7508  0.9337  1
  Cl  Cl4  1  0.3156  0.2598  0.7977  1
  Cl  Cl5  1  0.4439  0.4240  0.2392  1
  Cl  Cl6  1  0.6074  0.8565  0.2407  1
  Cl  Cl7  1  0.9989  0.6060  0.5317  1
]