data_[Tl12Pt4Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [13.1540]
_cell_length_b [7.5981]
_cell_length_c [7.5988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Tl3PtBr]
_chemical_formula_sum '[Tl12 Pt4 Br4]'
_cell_volume [620.4574]
_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
[
  Tl  Tl0  8  0.0571  0.0033  0.7788  1
  Tl  Tl1  4  0.3098  0.2472  0.7797  1
  Pt  Pt2  4  0.0598  0.2500  0.5281  1
  Br  Br3  4  0.3103  0.7484  0.7766  1
]