data_[Cs4Na4Mg8I24]
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
  Mg  1.3100  1.5000  0.8600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.5735]
_cell_length_b [16.2244]
_cell_length_c [7.8858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsNa(MgI3)2]
_chemical_formula_sum '[Cs4 Na4 Mg8 I24]'
_cell_volume [1973.8154]
_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
[
  Cs  Cs0  4  0.0000  0.1024  0.7500  1.0
  Na  Na1  4  0.0000  0.2957  0.2500  1.0
  Mg  Mg2  8  0.1991  0.4210  0.7643  1.0
  I  I3  8  0.1162  0.2914  0.5989  1.0
  I  I4  8  0.1266  0.1033  0.2064  1.0
  I  I5  8  0.1493  0.4305  0.0957  1.0
]