data_[P4Pb16S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [13.6539]
_cell_length_b [7.4840]
_cell_length_c [13.1213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [P(Pb2S3)2]
_chemical_formula_sum '[P4 Pb16 S24]'
_cell_volume [1289.4284]
_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
[
  P  P0  4  0.0895  0.2776  0.3987  1
  Pb  Pb1  4  0.0171  0.2646  0.8003  1
  Pb  Pb2  4  0.1469  0.0539  0.1768  1
  Pb  Pb3  4  0.3082  0.3958  0.6223  1
  Pb  Pb4  4  0.3635  0.1341  0.9488  1
  S  S5  4  0.0021  0.3560  0.2507  1
  S  S6  4  0.0127  0.0731  0.4516  1
  S  S7  4  0.1039  0.4889  0.5030  1
  S  S8  4  0.2193  0.2758  0.7736  1
  S  S9  4  0.2323  0.2013  0.3909  1
  S  S10  4  0.3248  0.2338  0.1375  1
]