data_[Na8Fe4Cl20]
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 [Cmcm]
_cell_length_a [5.2132]
_cell_length_b [13.3684]
_cell_length_c [12.6207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na2FeCl5]
_chemical_formula_sum '[Na8 Fe4 Cl20]'
_cell_volume [879.5691]
_cell_formula_units_Z [4]
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  8  0.0000  0.1563  0.5725  1.0
  Fe  Fe1  4  0.0000  0.1751  0.2500  1.0
  Cl  Cl2  8  0.0000  0.0545  0.1214  1.0
  Cl  Cl3  8  0.0000  0.3017  0.1125  1.0
  Cl  Cl4  4  0.0000  0.2983  0.7500  1.0
]