data_[Tl4Ag2Br2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1689]
_cell_length_b [5.3300]
_cell_length_c [15.7928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tl2AgBrCl3]
_chemical_formula_sum '[Tl4 Ag2 Br2 Cl6]'
_cell_volume [435.0966]
_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  4  0.0000  0.0000  0.3564  1
  Ag  Ag1  2  0.0000  0.0000  0.0000  1
  Br  Br2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  4  0.0000  0.0000  0.1657  1
  Cl  Cl4  2  0.0000  0.5000  0.5000  1
]