data_[K9Na9Cr3I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [R-3m]
_cell_length_a [9.3720]
_cell_length_b [9.3720]
_cell_length_c [24.3896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3Na3CrI8]
_chemical_formula_sum '[K9 Na9 Cr3 I24]'
_cell_volume [1855.2332]
_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
[
  K  K0  9  0.0000  0.5000  0.5000  1.0
  Na  Na1  9  0.0000  0.5000  0.0000  1.0
  Cr  Cr2  3  0.0000  0.0000  0.0000  1.0
  I  I3  18  0.0336  0.5168  0.7342  1.0
  I  I4  6  0.0000  0.0000  0.2588  1.0
]