data_[Na5Bi1Pb5]
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 [P-6m2]
_cell_length_a [6.2782]
_cell_length_b [6.2782]
_cell_length_c [11.2032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Na5BiPb5]
_chemical_formula_sum '[Na5 Bi1 Pb5]'
_cell_volume [382.4257]
_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
[
  Na  Na0  2  0.0000  0.0000  0.3034  1
  Na  Na1  2  0.3333  0.6667  0.1582  1
  Na  Na2  1  0.6667  0.3333  0.0000  1
  Bi  Bi3  1  0.0000  0.0000  0.0000  1
  Pb  Pb4  3  0.0040  0.5020  0.5000  1
  Pb  Pb5  2  0.6667  0.3333  0.2680  1
]