data_[Ce8Tm4Pd4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  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 [3.8676]
_cell_length_b [16.3014]
_cell_length_c [11.9218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2TmPdS5]
_chemical_formula_sum '[Ce8 Tm4 Pd4 S20]'
_cell_volume [751.6334]
_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  0.1094  0.3506  1
  Ce  Ce1  4  0.0000  0.1219  0.6974  1
  Tm  Tm2  4  0.0000  0.1769  0.0246  1
  Pd  Pd3  4  0.0000  0.4464  0.4209  1
  S  S4  4  0.0000  0.0098  0.0248  1
  S  S5  4  0.0000  0.3033  0.3595  1
  S  S6  4  0.0000  0.3058  0.6840  1
  S  S7  4  0.0000  0.3415  0.0216  1
  S  S8  4  0.0000  0.4968  0.7406  1
]