data_[Ce8In4Pd4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9885]
_cell_length_b [17.3839]
_cell_length_c [11.4704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2InPdS5]
_chemical_formula_sum '[Ce8 In4 Pd4 S20]'
_cell_volume [795.3035]
_cell_formula_units_Z [4]
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  4  0.0000  0.1161  0.2943  1
  Ce  Ce1  4  0.0000  0.1192  0.6688  1
  In  In2  4  0.0000  0.4067  0.4707  1
  Pd  Pd3  4  0.0000  0.2498  0.0930  1
  S  S4  4  0.0000  0.0314  0.0635  1
  S  S5  4  0.0000  0.3062  0.3160  1
  S  S6  4  0.0000  0.3127  0.6571  1
  S  S7  4  0.0000  0.3648  0.9829  1
  S  S8  4  0.0000  0.4922  0.2777  1
]