data_[Ce12Ge20]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.6020]
_cell_length_b [7.7796]
_cell_length_c [9.5188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce3Ge5]
_chemical_formula_sum '[Ce12 Ge20]'
_cell_volume [711.0533]
_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  0.2070  0.0000  0.0000  1.0
  Ce  Ce1  4  0.0000  0.3629  0.2500  1.0
  Ge  Ge2  8  0.0000  0.3042  0.5540  1.0
  Ge  Ge3  8  0.2040  0.2807  0.7500  1.0
  Ge  Ge4  4  0.0000  0.0282  0.7500  1.0
]