data_[K2Ce2Pd2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [8.6105]
_cell_length_b [4.1399]
_cell_length_c [9.3139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCePdS3]
_chemical_formula_sum '[K2 Ce2 Pd2 S6]'
_cell_volume [318.7024]
_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
[
  K  K0  2  0.1988  0.2500  0.2353  1.0
  Ce  Ce1  2  0.3165  0.7500  0.8408  1.0
  Pd  Pd2  2  0.0938  0.2500  0.5788  1.0
  S  S3  2  0.1210  0.2500  0.8627  1.0
  S  S4  2  0.2069  0.7500  0.5340  1.0
  S  S5  2  0.4604  0.7500  0.1512  1.0
]