data_[Cs2Na6Ca8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [11.9037]
_cell_length_b [11.9037]
_cell_length_c [11.9037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [CsNa3Ca4I12]
_chemical_formula_sum '[Cs2 Na6 Ca8 I24]'
_cell_volume [1686.7363]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  2  0.0000  0.0000  0.0000  1.0
  Na  Na1  6  0.0000  0.0000  0.5000  1.0
  Ca  Ca2  8  0.2500  0.2500  0.2500  1.0
  I  I3  24  0.0000  0.3054  0.8170  1.0
]