data_[Na4Li4Fe8I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.9089]
_cell_length_b [13.8957]
_cell_length_c [7.8476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaLi(FeI3)2]
_chemical_formula_sum '[Na4 Li4 Fe8 I24]'
_cell_volume [1556.0450]
_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  0.1096  0.2500  1.0
  Li  Li1  4  0.0000  0.2249  0.7500  1.0
  Fe  Fe2  8  0.1957  0.4194  0.2476  1.0
  I  I3  8  0.1188  0.0817  0.6547  1.0
  I  I4  8  0.1237  0.2579  0.0935  1.0
  I  I5  8  0.1372  0.4323  0.5360  1.0
]