data_[Cs4Mg6I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6393]
_cell_length_b [8.7905]
_cell_length_c [7.6264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Mg3I8]
_chemical_formula_sum '[Cs4 Mg6 I16]'
_cell_volume [1197.4498]
_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  4  0.2405  0.5000  0.6722  1.0
  Mg  Mg1  4  0.0000  0.2595  0.0000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.5000  1.0
  I  I3  8  0.0892  0.2343  0.3853  1.0
  I  I4  4  0.0916  0.0000  0.8935  1.0
  I  I5  4  0.0993  0.5000  0.9454  1.0
]