data_[Ba8Na4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2517]
_cell_length_b [5.3478]
_cell_length_c [12.9137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2NaPb2]
_chemical_formula_sum '[Ba8 Na4 Pb8]'
_cell_volume [809.7301]
_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
[
  Ba  Ba0  4  0.0060  0.5000  0.3282  1.0
  Ba  Ba1  4  0.1807  0.5000  0.1015  1.0
  Na  Na2  4  0.2196  0.0000  0.3678  1.0
  Pb  Pb3  4  0.0210  0.0000  0.8879  1.0
  Pb  Pb4  4  0.1292  0.0000  0.5775  1.0
]