data_[Ce8Ho4Pd4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ho  1.2300  1.7500  1.0410
  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 [3.8761]
_cell_length_b [16.3794]
_cell_length_c [11.9601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2HoPdS5]
_chemical_formula_sum '[Ce8 Ho4 Pd4 S20]'
_cell_volume [759.3287]
_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  0.1096  0.3511  1.0
  Ce  Ce1  4  0.0000  0.1213  0.6972  1.0
  Ho  Ho2  4  0.0000  0.1765  0.0251  1.0
  Pd  Pd3  4  0.0000  0.4471  0.4205  1.0
  S  S4  4  0.0000  0.0088  0.0233  1.0
  S  S5  4  0.0000  0.3048  0.3586  1.0
  S  S6  4  0.0000  0.3055  0.6861  1.0
  S  S7  4  0.0000  0.3416  0.0217  1.0
  S  S8  4  0.0000  0.4964  0.7406  1.0
]