data_[Ce8Mn4Pd4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  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 [3.8692]
_cell_length_b [15.6345]
_cell_length_c [11.8047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2MnPdS5]
_chemical_formula_sum '[Ce8 Mn4 Pd4 S20]'
_cell_volume [714.0994]
_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  0.1106  0.3468  1
  Ce  Ce1  4  0.0000  0.1300  0.6933  1
  Mn  Mn2  4  0.0000  0.1710  0.0460  1
  Pd  Pd3  4  0.0000  0.4241  0.4346  1
  S  S4  4  0.0000  0.0121  0.0272  1
  S  S5  4  0.0000  0.2947  0.3324  1
  S  S6  4  0.0000  0.3155  0.6744  1
  S  S7  4  0.0000  0.3288  0.0145  1
  S  S8  4  0.0000  0.4959  0.2549  1
]