data_[Tl2In2Ag2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5589]
_cell_length_b [4.5889]
_cell_length_c [10.1406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlInAgBr3]
_chemical_formula_sum '[Tl2 In2 Ag2 Br6]'
_cell_volume [440.6385]
_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  2  0.1706  0.2500  0.1635  1.0
  In  In1  2  0.4579  0.7500  0.8766  1.0
  Ag  Ag2  2  0.1558  0.2500  0.5666  1.0
  Br  Br3  2  0.1196  0.7500  0.3953  1.0
  Br  Br4  2  0.1694  0.7500  0.9270  1.0
  Br  Br5  2  0.4193  0.2500  0.6840  1.0
]