data_[Tl3I2Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.5480]
_cell_length_b [11.6523]
_cell_length_c [18.5121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tl3I2Br3]
_chemical_formula_sum '[Tl3 I2 Br3]'
_cell_volume [1196.7392]
_cell_formula_units_Z [1]
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  0.5000  0.2230  0.4606  1
  Tl  Tl1  1  0.0000  0.5000  0.5660  1
  I  I2  2  0.0000  0.2688  0.4031  1
  Br  Br3  2  0.5000  0.3353  0.5929  1
  Br  Br4  1  0.5000  0.0000  0.5209  1
]