data_[Al2Fe4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [13.1297]
_cell_length_b [8.4333]
_cell_length_c [6.0510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al(FeCl4)2]
_chemical_formula_sum '[Al2 Fe4 Cl16]'
_cell_volume [669.9814]
_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
[
  Al  Al0  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  4  0.1699  0.0000  0.6008  1.0
  Cl  Cl2  8  0.0754  0.1928  0.7797  1.0
  Cl  Cl3  4  0.1528  0.0000  0.2273  1.0
  Cl  Cl4  4  0.1715  0.5000  0.3110  1.0
]