data_[Ce8Y4Pd4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  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 [3.8884]
_cell_length_b [16.4576]
_cell_length_c [11.9960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2YPdS5]
_chemical_formula_sum '[Ce8 Y4 Pd4 S20]'
_cell_volume [767.6601]
_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  0.1092  0.3517  1.0
  Ce  Ce1  4  0.0000  0.1205  0.6969  1.0
  Y  Y2  4  0.0000  0.1762  0.0255  1.0
  Pd  Pd3  4  0.0000  0.4480  0.4197  1.0
  S  S4  4  0.0000  0.0081  0.0216  1.0
  S  S5  4  0.0000  0.3050  0.6878  1.0
  S  S6  4  0.0000  0.3061  0.3582  1.0
  S  S7  4  0.0000  0.3418  0.0219  1.0
  S  S8  4  0.0000  0.4960  0.7407  1.0
]