data_[Tl4Br4Cl16]
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/c]
_cell_length_a [7.4714]
_cell_length_b [18.2981]
_cell_length_c [6.7155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlBrCl4]
_chemical_formula_sum '[Tl4 Br4 Cl16]'
_cell_volume [910.5654]
_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  0.0532  0.2500  1
  Br  Br1  4  0.0000  0.3442  0.7500  1
  Cl  Cl2  8  0.1888  0.1609  0.1081  1
  Cl  Cl3  8  0.2051  0.0467  0.5971  1
]