data_[Si8Pb20N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3937]
_cell_length_b [7.4942]
_cell_length_c [12.9426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Si2Pb5N6]
_chemical_formula_sum '[Si8 Pb20 N24]'
_cell_volume [963.2622]
_cell_formula_units_Z [4]
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
[
  Si  Si0  8  0.1771  0.1577  0.9253  1
  Pb  Pb1  8  0.1110  0.0937  0.1831  1
  Pb  Pb2  8  0.1159  0.3397  0.5192  1
  Pb  Pb3  4  0.0000  0.4152  0.7500  1
  N  N4  8  0.0008  0.1836  0.8764  1
  N  N5  8  0.2448  0.0082  0.8509  1
  N  N6  8  0.2494  0.1239  0.0682  1
]