data_[Ba2Na3Bi4Pb1]
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
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.2013]
_cell_length_b [5.2013]
_cell_length_c [13.2984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2Na3Bi4Pb]
_chemical_formula_sum '[Ba2 Na3 Bi4 Pb1]'
_cell_volume [359.7640]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.7709  1.0
  Na  Na1  2  0.0000  0.5000  0.1272  1.0
  Na  Na2  1  0.0000  0.0000  0.5000  1.0
  Bi  Bi3  2  0.0000  0.5000  0.3508  1.0
  Bi  Bi4  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi5  1  0.5000  0.5000  0.0000  1.0
  Pb  Pb6  1  0.5000  0.5000  0.5000  1.0
]