data_[Na8Nb12F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5790]
_cell_length_b [13.8068]
_cell_length_c [8.3950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Nb3F9]
_chemical_formula_sum '[Na8 Nb12 F36]'
_cell_volume [873.2244]
_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  8  0.1442  0.3511  0.8387  1
  Nb  Nb1  8  0.1357  0.1004  0.6775  1
  Nb  Nb2  4  0.1768  0.0000  0.4105  1
  F  F3  8  0.0432  0.1103  0.2155  1
  F  F4  8  0.1619  0.3907  0.4011  1
  F  F5  8  0.2130  0.2953  0.1274  1
  F  F6  4  0.0000  0.2175  0.5000  1
  F  F7  4  0.1653  0.5000  0.7217  1
  F  F8  4  0.2081  0.5000  0.1113  1
]