data_[Cs4Tl2Cd2I12]
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 [P2_1/c]
_cell_length_a [8.6160]
_cell_length_b [8.7246]
_cell_length_c [15.0503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2TlCdI6]
_chemical_formula_sum '[Cs4 Tl2 Cd2 I12]'
_cell_volume [929.3796]
_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  0.2625  0.5482  0.7506  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  2  0.5000  0.0000  0.0000  1.0
  I  I3  4  0.2086  0.0046  0.7587  1.0
  I  I4  4  0.2500  0.2046  0.0263  1.0
  I  I5  4  0.3200  0.7233  0.0265  1.0
]