data_[Ce4Pd2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6553]
_cell_length_b [5.8277]
_cell_length_c [7.8880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce2PdS4]
_chemical_formula_sum '[Ce4 Pd2 S8]'
_cell_volume [292.4821]
_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  0.2432  0.7500  0.4364  1.0
  Ce  Ce1  2  0.2474  0.7500  0.9356  1.0
  Pd  Pd2  2  0.2601  0.2500  0.1860  1.0
  S  S3  4  0.4677  0.0199  0.7404  1.0
  S  S4  2  0.0575  0.2500  0.8840  1.0
  S  S5  2  0.0586  0.2500  0.3923  1.0
]