data_[Na16Pb16S24]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.6953]
_cell_length_b [14.8541]
_cell_length_c [7.5208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2Pb2S3]
_chemical_formula_sum '[Na16 Pb16 S24]'
_cell_volume [1560.9158]
_cell_formula_units_Z [8]
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  8  0.1765  0.2626  0.2489  1
  Na  Na1  8  0.2108  0.4295  0.7923  1
  Pb  Pb2  8  0.0971  0.1019  0.6358  1
  Pb  Pb3  4  0.0000  0.3070  0.7500  1
  Pb  Pb4  4  0.0000  0.4237  0.2500  1
  S  S5  8  0.0973  0.1154  0.0033  1
  S  S6  8  0.1251  0.4283  0.0416  1
  S  S7  8  0.1254  0.2805  0.5534  1
]