data_[Ce20Si8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.8971]
_cell_length_b [7.7914]
_cell_length_c [7.8448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce5(SiGe)2]
_chemical_formula_sum '[Ce20 Si8 Ge8]'
_cell_volume [910.5445]
_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  16  0.1370  0.1852  0.6813  1.0
  Ce  Ce1  4  0.0000  0.0000  0.0000  1.0
  Si  Si2  8  0.0000  0.1108  0.3873  1.0
  Ge  Ge3  8  0.2109  0.0000  0.0000  1.0
]