data_[Cs3Mg3In6I24]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [7.5179]
_cell_length_b [7.5179]
_cell_length_c [34.5682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsMg(InI4)2]
_chemical_formula_sum '[Cs3 Mg3 In6 I24]'
_cell_volume [1691.9891]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.0000  1
  Mg  Mg1  3  0.0000  0.0000  0.5000  1
  In  In2  6  0.0000  0.0000  0.2438  1
  I  I3  18  0.0108  0.3806  0.2238  1
  I  I4  6  0.0000  0.0000  0.3254  1
]