data_[Tl4Pt2I8Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0506]
_cell_length_b [7.8738]
_cell_length_c [8.0821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Pt(I2Br)2]
_chemical_formula_sum '[Tl4 Pt2 I8 Br4]'
_cell_volume [659.3412]
_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  0.2472  0.5000  0.7736  1
  Pt  Pt1  2  0.0000  0.0000  0.5000  1
  I  I2  8  0.0316  0.2415  0.2974  1
  Br  Br3  4  0.2388  0.0000  0.7900  1
]