data_[Na6Ga3Sb3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.5210]
_cell_length_b [7.5210]
_cell_length_c [20.4844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2GaSbBr6]
_chemical_formula_sum '[Na6 Ga3 Sb3 Br18]'
_cell_volume [1003.4811]
_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  0.0087  1.0
  Na  Na1  3  0.0000  0.0000  0.5201  1.0
  Ga  Ga2  3  0.0000  0.0000  0.8191  1.0
  Sb  Sb3  3  0.0000  0.0000  0.3261  1.0
  Br  Br4  9  0.0021  0.3598  0.5838  1.0
  Br  Br5  9  0.0413  0.6715  0.0782  1.0
]