data_[Ce2Pd2Pb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pd  2.2000  1.4000  0.8462
  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 [8.3268]
_cell_length_b [4.0515]
_cell_length_c [8.8508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CePdPbS3]
_chemical_formula_sum '[Ce2 Pd2 Pb2 S6]'
_cell_volume [290.3415]
_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  0.3250  0.7500  0.8215  1.0
  Pd  Pd1  2  0.1127  0.2500  0.5448  1.0
  Pb  Pb2  2  0.1726  0.2500  0.2307  1.0
  S  S3  2  0.1024  0.2500  0.8503  1.0
  S  S4  2  0.2531  0.7500  0.5101  1.0
  S  S5  2  0.4342  0.7500  0.1495  1.0
]