data_[Ce12Ni20Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.9438]
_cell_length_b [11.8643]
_cell_length_c [5.5105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ce3Ni5Ge2]
_chemical_formula_sum '[Ce12 Ni20 Ge8]'
_cell_volume [715.4879]
_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  0.1836  0.3783  0.5000  1
  Ce  Ce1  4  0.0000  0.0000  0.2500  1
  Ni  Ni2  8  0.0000  0.2027  0.2500  1
  Ni  Ni3  8  0.1000  0.3511  0.0000  1
  Ni  Ni4  4  0.0000  0.5000  0.2500  1
  Ge  Ge5  8  0.1887  0.1284  0.5000  1
]