data_[Na6Ga2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5415]
_cell_length_b [5.7802]
_cell_length_c [9.7035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3GaF6]
_chemical_formula_sum '[Na6 Ga2 F12]'
_cell_volume [256.4099]
_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  0.2710  0.5581  0.2546  1.0
  Na  Na1  2  0.5000  0.0000  0.5000  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1090  0.5543  0.7247  1.0
  F  F4  4  0.2353  0.2224  0.5701  1.0
  F  F5  4  0.3352  0.6749  0.5516  1.0
]