data_[Ba4Na12Pb4]
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 [Pnma]
_cell_length_a [12.2493]
_cell_length_b [5.9036]
_cell_length_c [10.5736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaNa3Pb]
_chemical_formula_sum '[Ba4 Na12 Pb4]'
_cell_volume [764.6228]
_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  0.2374  0.2500  0.0081  1.0
  Na  Na1  4  0.0498  0.2500  0.3972  1.0
  Na  Na2  4  0.0586  0.7500  0.1753  1.0
  Na  Na3  4  0.1289  0.7500  0.8372  1.0
  Pb  Pb4  4  0.1692  0.2500  0.6688  1.0
]