data_[Tl6Br4Cl2]
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 [Amm2]
_cell_length_a [21.6038]
_cell_length_b [5.4786]
_cell_length_c [9.7585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tl3Br2Cl]
_chemical_formula_sum '[Tl6 Br4 Cl2]'
_cell_volume [1154.9981]
_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  4  0.1471  0.0000  0.5919  1
  Tl  Tl1  2  0.0000  0.0000  0.9195  1
  Br  Br2  4  0.1528  0.0000  0.9219  1
  Cl  Cl3  2  0.0000  0.0000  0.5898  1
]