data_[Na12Bi16Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.6663]
_cell_length_b [12.2655]
_cell_length_c [6.4252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9306]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na3(Bi2Pb)2]
_chemical_formula_sum '[Na12 Bi16 Pb8]'
_cell_volume [1203.3327]
_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  0.1097  0.0814  0.5059  1.0
  Na  Na1  4  0.0000  0.4254  0.7500  1.0
  Bi  Bi2  8  0.0859  0.1961  0.9984  1.0
  Bi  Bi3  8  0.1696  0.3377  0.4297  1.0
  Pb  Pb4  8  0.2203  0.3967  0.9712  1.0
]