data_[Ba2Ce2Pd2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [8.6307]
_cell_length_b [4.1326]
_cell_length_c [9.1099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaCePdS3]
_chemical_formula_sum '[Ba2 Ce2 Pd2 S6]'
_cell_volume [313.2389]
_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
[
  Ba  Ba0  2  0.1925  0.2500  0.2401  1.0
  Ce  Ce1  2  0.3188  0.7500  0.8289  1.0
  Pd  Pd2  2  0.1002  0.2500  0.5809  1.0
  S  S3  2  0.1118  0.2500  0.8656  1.0
  S  S4  2  0.2240  0.7500  0.5223  1.0
  S  S5  2  0.4451  0.7500  0.1537  1.0
]