data_[Tl12Br10Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2091]
_cell_length_b [14.2263]
_cell_length_c [8.2091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl6Br5Cl]
_chemical_formula_sum '[Tl12 Br10 Cl2]'
_cell_volume [903.8237]
_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  8  0.2448  0.1632  0.2461  1
  Tl  Tl1  4  0.2431  0.0000  0.7537  1
  Br  Br2  4  0.0000  0.1704  0.5000  1
  Br  Br3  4  0.0000  0.3352  0.0000  1
  Br  Br4  2  0.0000  0.5000  0.5000  1
  Cl  Cl5  2  0.0000  0.0000  0.0000  1
]