data_[Cs4Mg4In2I14]
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 [I4/mmm]
_cell_length_a [5.8764]
_cell_length_b [5.8764]
_cell_length_c [30.4088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs2Mg2InI7]
_chemical_formula_sum '[Cs4 Mg4 In2 I14]'
_cell_volume [1050.0801]
_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  0.0000  0.0000  0.1781  1.0
  Mg  Mg1  4  0.0000  0.0000  0.4023  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.0000  0.5000  0.0894  1.0
  I  I4  4  0.0000  0.0000  0.3080  1.0
  I  I5  2  0.0000  0.0000  0.5000  1.0
]