data_[Na2Tl6Ga4Br12]
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 [C2/m]
_cell_length_a [7.9217]
_cell_length_b [13.6929]
_cell_length_c [7.9933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTl3(GaBr3)2]
_chemical_formula_sum '[Na2 Tl6 Ga4 Br12]'
_cell_volume [818.5911]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.1678  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Ga  Ga3  4  0.0000  0.3327  0.0000  1
  Br  Br4  8  0.2356  0.1618  0.2233  1
  Br  Br5  4  0.2465  0.0000  0.7691  1
]