data_[Na8Ga4Br20]
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 [Pnnm]
_cell_length_a [11.9105]
_cell_length_b [12.5186]
_cell_length_c [8.5954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Na2GaBr5]
_chemical_formula_sum '[Na8 Ga4 Br20]'
_cell_volume [1281.5993]
_cell_formula_units_Z [4]
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  0.0000  0.2190  1
  Na  Na1  4  0.1191  0.6671  0.0000  1
  Ga  Ga2  4  0.2481  0.7667  0.5000  1
  Br  Br3  8  0.2237  0.1580  0.2219  1
  Br  Br4  4  0.0658  0.8435  0.5000  1
  Br  Br5  4  0.1187  0.4096  0.0000  1
  Br  Br6  4  0.1202  0.8832  0.0000  1
]