data_[Cs4Rb8Mg4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.1955]
_cell_length_b [10.1955]
_cell_length_c [16.6966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [CsRb2MgI5]
_chemical_formula_sum '[Cs4 Rb8 Mg4 I20]'
_cell_volume [1735.5910]
_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  0.0000  0.2500  1.0
  Rb  Rb1  8  0.1592  0.3408  0.0000  1.0
  Mg  Mg2  4  0.0000  0.5000  0.2500  1.0
  I  I3  16  0.1479  0.3521  0.3522  1.0
  I  I4  4  0.0000  0.0000  0.0000  1.0
]