data_[Tl4Pt2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [7.6444]
_cell_length_b [7.6444]
_cell_length_c [11.9665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [128]
_chemical_formula_structural [Tl2PtI6]
_chemical_formula_sum '[Tl4 Pt2 I12]'
_cell_volume [699.2931]
_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
[
  Tl  Tl0  4  0.0000  0.5000  0.2500  1.0
  Pt  Pt1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.1945  0.2978  0.0000  1.0
  I  I3  4  0.0000  0.0000  0.2266  1.0
]