data_[Ce2Al2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6736]
_cell_length_b [6.6389]
_cell_length_c [8.0996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeAlPbS4]
_chemical_formula_sum '[Ce2 Al2 Pb2 S8]'
_cell_volume [342.7628]
_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
[
  Ce  Ce0  2  0.2284  0.7500  0.5575  1.0
  Al  Al1  2  0.2346  0.2500  0.3088  1.0
  Pb  Pb2  2  0.2545  0.7500  0.0678  1.0
  S  S3  4  0.0038  0.5052  0.2594  1.0
  S  S4  2  0.4283  0.2500  0.5879  1.0
  S  S5  2  0.4336  0.2500  0.1314  1.0
]