data_[Na6Pb5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.8104]
_cell_length_b [15.0000]
_cell_length_c [11.8891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Na6Pb5]
_chemical_formula_sum '[Na6 Pb5]'
_cell_volume [1563.6198]
_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  1  0.1596  0.5000  0.7200  1
  Na  Na1  1  0.3307  0.5000  0.2772  1
  Na  Na2  1  0.4589  0.5000  0.5614  1
  Na  Na3  1  0.7230  0.5000  0.3545  1
  Na  Na4  1  0.8631  0.5000  0.8792  1
  Na  Na5  1  0.9746  0.5000  0.1729  1
  Pb  Pb6  1  0.0757  0.5000  0.4492  1
  Pb  Pb7  1  0.2532  0.5000  0.0016  1
  Pb  Pb8  1  0.4992  0.5000  0.8431  1
  Pb  Pb9  1  0.5921  0.5000  0.0880  1
  Pb  Pb10  1  0.8320  0.5000  0.6053  1
]