data_[Na4Ga4Br16]
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 [C2/c]
_cell_length_a [10.6942]
_cell_length_b [9.1544]
_cell_length_c [9.1130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaGaBr4]
_chemical_formula_sum '[Na4 Ga4 Br16]'
_cell_volume [888.8904]
_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  0.2500  0.2500  0.5000  1.0
  Ga  Ga1  4  0.0000  0.1486  0.7500  1.0
  Br  Br2  8  0.0137  0.2984  0.9632  1.0
  Br  Br3  8  0.1875  0.0103  0.7417  1.0
]