data_[Na8Cr8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3037]
_cell_length_b [10.7356]
_cell_length_c [7.1534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCrCl3]
_chemical_formula_sum '[Na8 Cr8 Cl24]'
_cell_volume [992.3656]
_cell_formula_units_Z [8]
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  0.1202  0.2500  1
  Na  Na1  4  0.0000  0.4320  0.7500  1
  Cr  Cr2  8  0.2406  0.0840  0.9905  1
  Cl  Cl3  8  0.1325  0.0537  0.6147  1
  Cl  Cl4  8  0.1336  0.2579  0.0353  1
  Cl  Cl5  8  0.1394  0.4252  0.5203  1
]