data_[Na2Fe4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [13.3866]
_cell_length_b [9.0254]
_cell_length_c [6.4362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(FeCl4)2]
_chemical_formula_sum '[Na2 Fe4 Cl16]'
_cell_volume [749.4580]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  4  0.1944  0.0000  0.6958  1.0
  Cl  Cl2  8  0.1124  0.1891  0.7808  1.0
  Cl  Cl3  4  0.1439  0.5000  0.1343  1.0
  Cl  Cl4  4  0.1854  0.0000  0.3520  1.0
]