data_[Tl4Zn8Ga4Br24]
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 [C2/c]
_cell_length_a [14.3279]
_cell_length_b [14.0819]
_cell_length_c [7.1781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlZn2GaBr6]
_chemical_formula_sum '[Tl4 Zn8 Ga4 Br24]'
_cell_volume [1431.5882]
_cell_formula_units_Z [4]
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  0.1050  0.2500  1.0
  Zn  Zn1  8  0.2070  0.4182  0.2784  1.0
  Ga  Ga2  4  0.0000  0.2876  0.7500  1.0
  Br  Br3  8  0.1225  0.0976  0.6866  1.0
  Br  Br4  8  0.1309  0.2800  0.1299  1.0
  Br  Br5  8  0.1538  0.4356  0.5949  1.0
]