data_[Na3Tl3Ga6Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.9410]
_cell_length_b [6.9410]
_cell_length_c [29.8981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [NaTl(GaBr4)2]
_chemical_formula_sum '[Na3 Tl3 Ga6 Br24]'
_cell_volume [1247.4205]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  3  -0.0000  0.0000  0.5000  1.0
  Ga  Ga2  6  0.0000  0.0000  0.2471  1.0
  Br  Br3  18  0.0048  0.6447  0.0615  1.0
  Br  Br4  6  0.0000  0.0000  0.1682  1.0
]