data_[Ba4Na12Pb8]
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 [16.2683]
_cell_length_b [5.5291]
_cell_length_c [10.4431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNa3Pb2]
_chemical_formula_sum '[Ba4 Na12 Pb8]'
_cell_volume [820.0653]
_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  0.1367  0.0000  0.0204  1.0
  Na  Na1  4  0.0584  0.0000  0.3808  1.0
  Na  Na2  4  0.0937  0.5000  0.7032  1.0
  Na  Na3  4  0.2167  0.5000  0.5422  1.0
  Pb  Pb4  4  0.0571  0.5000  0.1763  1.0
  Pb  Pb5  4  0.2197  0.0000  0.7364  1.0
]