data_[Na12B12O12F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.3778]
_cell_length_b [6.6313]
_cell_length_c [9.1811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaBOF2]
_chemical_formula_sum '[Na12 B12 O12 F24]'
_cell_volume [637.3165]
_cell_formula_units_Z [12]
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  0.0894  0.2321  0.4972  1
  Na  Na1  4  0.2500  0.2500  0.0000  1
  B  B2  8  0.1085  0.4717  0.2449  1
  B  B3  4  0.0000  0.2017  0.7500  1
  O  O4  8  0.1049  0.3141  0.7455  1
  O  O5  4  0.0000  0.3699  0.2500  1
  F  F6  8  0.0471  0.0686  0.8875  1
  F  F7  8  0.1281  0.4054  0.1047  1
  F  F8  8  0.2209  0.4059  0.3809  1
]