data_[Na4Li4Fe4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3744]
_cell_length_b [11.1262]
_cell_length_c [8.7986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaLiFeCl5]
_chemical_formula_sum '[Na4 Li4 Fe4 Cl20]'
_cell_volume [855.1331]
_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  4  0.0000  0.3116  0.2500  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.0000  0.3487  0.7500  1.0
  Cl  Cl3  8  0.1077  0.2346  0.6156  1.0
  Cl  Cl4  8  0.1701  0.4685  0.9233  1.0
  Cl  Cl5  4  0.0000  0.0715  0.2500  1.0
]