data_[Tl2Zn2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9375]
_cell_length_b [8.6911]
_cell_length_c [8.0905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlZnBr6]
_chemical_formula_sum '[Tl2 Zn2 Br12]'
_cell_volume [544.3172]
_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  0.0000  0.5000  0.5000  1
  Zn  Zn1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1809  0.1794  0.2136  1
  Br  Br3  4  0.2107  0.5000  0.1916  1
]