data_[Ce8Er4Pd4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  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 [3.8710]
_cell_length_b [16.3443]
_cell_length_c [11.9433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2ErPdS5]
_chemical_formula_sum '[Ce8 Er4 Pd4 S20]'
_cell_volume [755.6411]
_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  0.3509  1.0
  Ce  Ce1  4  0.0000  0.1216  0.6972  1.0
  Er  Er2  4  0.0000  0.1767  0.0248  1.0
  Pd  Pd3  4  0.0000  0.4468  0.4207  1.0
  S  S4  4  0.0000  0.0093  0.0238  1.0
  S  S5  4  0.0000  0.3042  0.3592  1.0
  S  S6  4  0.0000  0.3056  0.6851  1.0
  S  S7  4  0.0000  0.3415  0.0217  1.0
  S  S8  4  0.0000  0.4966  0.7406  1.0
]