data_[Na1Tl1Ga2Br4]
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 [P2/m]
_cell_length_a [7.8010]
_cell_length_b [4.5071]
_cell_length_c [7.8670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaTl(GaBr2)2]
_chemical_formula_sum '[Na1 Tl1 Ga2 Br4]'
_cell_volume [261.0265]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.5000  1.0
  Ga  Ga2  1  0.5000  0.0000  0.5000  1.0
  Ga  Ga3  1  0.5000  0.5000  0.0000  1.0
  Br  Br4  2  0.2477  0.5000  0.2349  1.0
  Br  Br5  2  0.2574  0.0000  0.7691  1.0
]