data_[Ce8Si4Ge8]
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 [C2/m]
_cell_length_a [10.9181]
_cell_length_b [4.1377]
_cell_length_c [10.6999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2SiGe2]
_chemical_formula_sum '[Ce8 Si4 Ge8]'
_cell_volume [447.8869]
_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  0.0735  0.0000  0.9068  1.0
  Ce  Ce1  4  0.1918  0.5000  0.6391  1.0
  Si  Si2  4  0.0735  0.5000  0.3040  1.0
  Ge  Ge3  4  0.0486  0.0000  0.4090  1.0
  Ge  Ge4  4  0.1701  0.5000  0.1324  1.0
]