data_[Na4Cr4I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7907]
_cell_length_b [18.0613]
_cell_length_c [7.1699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCrI4]
_chemical_formula_sum '[Na4 Cr4 I16]'
_cell_volume [975.1133]
_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  0.4247  0.2500  1.0
  Cr  Cr1  4  0.0000  0.0609  0.7500  1.0
  I  I2  8  0.2021  0.0507  0.2009  1.0
  I  I3  8  0.2136  0.8328  0.2523  1.0
]