data_[Na2B2Pb2F12]
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
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.6330]
_cell_length_b [6.2008]
_cell_length_c [7.0825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaBPbF6]
_chemical_formula_sum '[Na2 B2 Pb2 F12]'
_cell_volume [265.3173]
_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  2  0.0000  0.8794  0.5000  1.0
  B  B1  2  0.0000  0.3839  0.5000  1.0
  Pb  Pb2  2  0.0000  0.5599  0.0000  1.0
  F  F3  4  0.0939  0.2526  0.6806  1.0
  F  F4  4  0.1638  0.5190  0.4789  1.0
  F  F5  4  0.1656  0.8131  0.8518  1.0
]