data_[Tl4Pt4Br20]
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 [C2/c]
_cell_length_a [12.0527]
_cell_length_b [9.3995]
_cell_length_c [9.3270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlPtBr5]
_chemical_formula_sum '[Tl4 Pt4 Br20]'
_cell_volume [961.5748]
_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  4  0.0000  0.4951  0.7500  1.0
  Pt  Pt1  4  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.0927  0.2369  0.9940  1.0
  Br  Br3  8  0.2090  0.1016  0.6535  1.0
  Br  Br4  4  0.0000  0.1082  0.2500  1.0
]