data_[Ce8Sn12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3794]
_cell_length_b [25.2353]
_cell_length_c [7.5032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2Sn3Pd5]
_chemical_formula_sum '[Ce8 Sn12 Pd20]'
_cell_volume [829.2167]
_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  0.1814  0.2082  1
  Ce  Ce1  4  0.0000  0.4827  0.2599  1
  Sn  Sn2  4  0.0000  0.0655  0.4519  1
  Sn  Sn3  4  0.0000  0.2078  0.6435  1
  Sn  Sn4  4  0.0000  0.3940  0.5529  1
  Pd  Pd5  4  0.0000  0.0393  0.0801  1
  Pd  Pd6  4  0.0000  0.1133  0.8054  1
  Pd  Pd7  4  0.0000  0.2683  0.9457  1
  Pd  Pd8  4  0.0000  0.2999  0.3710  1
  Pd  Pd9  4  0.0000  0.3772  0.0462  1
]