data_[Tl4Pt2Br10]
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 [Cm]
_cell_length_a [12.0860]
_cell_length_b [7.6009]
_cell_length_c [7.9411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2PtBr5]
_chemical_formula_sum '[Tl4 Pt2 Br10]'
_cell_volume [567.7838]
_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  2  0.2441  0.5000  0.2435  1
  Tl  Tl1  2  0.2496  0.0000  0.6990  1
  Pt  Pt2  2  0.0045  0.0000  0.0096  1
  Br  Br3  4  0.0037  0.2296  0.7863  1
  Br  Br4  4  0.4681  0.2696  0.1922  1
  Br  Br5  2  0.2811  0.0000  0.3139  1
]