data_[Na6Ga2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.0981]
_cell_length_b [10.2427]
_cell_length_c [8.9310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Na3GaBr4]
_chemical_formula_sum '[Na6 Ga2 Br8]'
_cell_volume [557.8424]
_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  4  0.0000  0.2517  0.6660  1.0
  Na  Na1  2  0.0000  0.5000  0.1688  1.0
  Ga  Ga2  2  0.0000  0.0000  0.1653  1.0
  Br  Br3  4  0.0000  0.2585  0.3397  1.0
  Br  Br4  2  0.0000  0.0000  0.8199  1.0
  Br  Br5  2  0.0000  0.5000  0.8373  1.0
]