data_[Cs8Tl4Cd4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.9150]
_cell_length_b [22.8846]
_cell_length_c [16.4527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2TlCdI5]
_chemical_formula_sum '[Cs8 Tl4 Cd4 I20]'
_cell_volume [1850.5620]
_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  0.1233  0.6867  1.0
  Cs  Cs1  4  0.0000  0.1374  0.3361  1.0
  Tl  Tl2  4  0.0000  0.2056  0.0412  1.0
  Cd  Cd3  4  0.0000  0.4448  0.4148  1.0
  I  I4  4  0.0000  0.0296  0.0052  1.0
  I  I5  4  0.0000  0.2921  0.6832  1.0
  I  I6  4  0.0000  0.3261  0.3730  1.0
  I  I7  4  0.0000  0.3497  0.0140  1.0
  I  I8  4  0.0000  0.4925  0.7697  1.0
]