data_[Tl1Ag2Sn1Br8]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8267]
_cell_length_b [7.1466]
_cell_length_c [9.5748]
_cell_angle_alpha [111.5470]
_cell_angle_beta [92.0702]
_cell_angle_gamma [98.9254]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlAg2SnBr8]
_chemical_formula_sum '[Tl1 Ag2 Sn1 Br8]'
_cell_volume [427.0157]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  2  0.4425  0.2995  0.2914  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1431  0.7729  0.7492  1.0
  Br  Br4  2  0.2403  0.8934  0.1712  1.0
  Br  Br5  2  0.2815  0.3183  0.0346  1.0
  Br  Br6  2  0.4708  0.2863  0.5684  1.0
]