data_[Tl2Zn4Br2]
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 [Cm]
_cell_length_a [8.6233]
_cell_length_b [3.6966]
_cell_length_c [7.8938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlZn2Br]
_chemical_formula_sum '[Tl2 Zn4 Br2]'
_cell_volume [229.1861]
_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  0.0121  0.5000  0.7774  1
  Zn  Zn1  2  0.0491  0.0000  0.1424  1
  Zn  Zn2  2  0.3189  0.0000  0.0884  1
  Br  Br3  2  0.1199  0.0000  0.4919  1
]