data_[Na9Li9Cr3Cl24]
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
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5404]
_cell_length_b [7.5404]
_cell_length_c [19.2716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na3Li3CrCl8]
_chemical_formula_sum '[Na9 Li9 Cr3 Cl24]'
_cell_volume [948.9357]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1.0
  Li  Li1  9  0.0000  0.5000  0.0000  1.0
  Cr  Cr2  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  18  0.0111  0.5055  0.7394  1.0
  Cl  Cl4  6  0.0000  0.0000  0.2574  1.0
]