data_[Tl4Cd8Ga4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  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 [14.8446]
_cell_length_b [13.8413]
_cell_length_c [7.7670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCd2GaBr6]
_chemical_formula_sum '[Tl4 Cd8 Ga4 Br24]'
_cell_volume [1568.8341]
_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  0.1013  0.7500  1.0
  Cd  Cd1  8  0.2045  0.4122  0.7721  1.0
  Ga  Ga2  4  0.0000  0.2801  0.2500  1.0
  Br  Br3  8  0.1155  0.1025  0.1632  1.0
  Br  Br4  8  0.1295  0.2602  0.6072  1.0
  Br  Br5  8  0.1460  0.4294  0.0817  1.0
]