data_[Tl4Ag4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2368]
_cell_length_b [5.7885]
_cell_length_c [10.5307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlAgBr4]
_chemical_formula_sum '[Tl4 Ag4 Br16]'
_cell_volume [843.1877]
_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  0.2749  0.7500  1.0
  Ag  Ag1  4  0.2500  0.2500  0.5000  1.0
  Br  Br2  8  0.0689  0.2399  0.4426  1.0
  Br  Br3  8  0.2473  0.4275  0.8366  1.0
]