data_[Rb8Ce6Pd2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [C2/m]
_cell_length_a [14.9123]
_cell_length_b [8.0750]
_cell_length_c [8.9833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb4Ce3PdS8]
_chemical_formula_sum '[Rb8 Ce6 Pd2 S16]'
_cell_volume [932.9067]
_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
[
  Rb  Rb0  4  0.2500  0.2500  0.0000  1.0
  Rb  Rb1  2  0.0000  0.0000  0.0000  1.0
  Rb  Rb2  2  0.0000  0.5000  0.0000  1.0
  Ce  Ce3  4  0.2500  0.2500  0.5000  1.0
  Ce  Ce4  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd5  2  0.0000  0.0000  0.5000  1.0
  S  S6  8  0.0240  0.2229  0.3308  1.0
  S  S7  4  0.2250  0.5000  0.6956  1.0
  S  S8  4  0.2327  0.5000  0.2799  1.0
]