data_[Na4Pb6Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8068]
_cell_length_b [8.4231]
_cell_length_c [7.4411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Pb3Cl8]
_chemical_formula_sum '[Na4 Pb6 Cl16]'
_cell_volume [851.9268]
_cell_formula_units_Z [2]
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  4  0.2116  0.5000  0.5740  1.0
  Pb  Pb1  4  0.0000  0.2550  0.0000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  8  0.1284  0.2311  0.3621  1.0
  Cl  Cl4  4  0.1118  0.5000  0.8642  1.0
  Cl  Cl5  4  0.1170  0.0000  0.8653  1.0
]