data_[Tl2Zn2Ga2Br8]
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
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3663]
_cell_length_b [7.5975]
_cell_length_c [9.0909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlZnGaBr4]
_chemical_formula_sum '[Tl2 Zn2 Ga2 Br8]'
_cell_volume [483.1733]
_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  0.2492  0.2500  0.0584  1.0
  Zn  Zn1  2  0.2292  0.7500  0.3093  1.0
  Ga  Ga2  2  0.2329  0.2500  0.5435  1.0
  Br  Br3  4  0.0122  0.0030  0.2539  1.0
  Br  Br4  2  0.4280  0.7500  0.1399  1.0
  Br  Br5  2  0.4328  0.7500  0.5786  1.0
]