data_[Ce4Zn4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0439]
_cell_length_b [17.4737]
_cell_length_c [12.7505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CeZnPb2S5]
_chemical_formula_sum '[Ce4 Zn4 Pb8 S20]'
_cell_volume [900.9853]
_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
[
  Ce  Ce0  4  0.0000  0.2054  0.0299  1.0
  Zn  Zn1  4  0.0000  0.4420  0.4344  1.0
  Pb  Pb2  4  0.0000  0.0930  0.6603  1.0
  Pb  Pb3  4  0.0000  0.1215  0.3238  1.0
  S  S4  4  0.0000  0.0465  0.0349  1.0
  S  S5  4  0.0000  0.2879  0.6729  1.0
  S  S6  4  0.0000  0.3073  0.3873  1.0
  S  S7  4  0.0000  0.3606  0.0050  1.0
  S  S8  4  0.0000  0.4954  0.7755  1.0
]