data_[Ce8Ge16Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.8800]
_cell_length_b [15.1520]
_cell_length_c [7.6562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce2Ge4Pd3]
_chemical_formula_sum '[Ce8 Ge16 Pd12]'
_cell_volume [682.1111]
_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  8  0.0000  0.1096  0.5888  1.0
  Ge  Ge1  8  0.0000  0.1803  0.9739  1.0
  Ge  Ge2  8  0.2500  0.0555  0.2500  1.0
  Pd  Pd3  8  0.2500  0.2235  0.2500  1.0
  Pd  Pd4  4  0.0000  0.0000  0.0000  1.0
]