data_[Mg8Cd4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.7516]
_cell_length_b [16.2258]
_cell_length_c [7.5226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg2CdI6]
_chemical_formula_sum '[Mg8 Cd4 I24]'
_cell_volume [1746.3764]
_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
[
  Mg  Mg0  8  0.2179  0.4211  0.3639  1.0
  Cd  Cd1  4  0.0000  0.2087  0.2500  1.0
  I  I2  8  0.0989  0.1035  0.5771  1.0
  I  I3  8  0.1181  0.2948  0.1166  1.0
  I  I4  8  0.1718  0.4266  0.6788  1.0
]