data_[Tl8Ag2Br10]
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 [I4]
_cell_length_a [10.3283]
_cell_length_b [10.3283]
_cell_length_c [6.7014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Tl4AgBr5]
_chemical_formula_sum '[Tl8 Ag2 Br10]'
_cell_volume [714.8572]
_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  0.0933  0.3016  0.4996  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0522  1.0
  Br  Br2  8  0.0968  0.2636  0.9956  1.0
  Br  Br3  2  0.0000  0.0000  0.4774  1.0
]