data_[Ce12Zn8Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2496]
_cell_length_b [11.2468]
_cell_length_c [14.7345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce3Zn2Ge3]
_chemical_formula_sum '[Ce12 Zn8 Ge12]'
_cell_volume [704.2274]
_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  0.0679  0.6101  1.0
  Ce  Ce1  4  0.0000  0.3579  0.7500  1.0
  Zn  Zn2  8  0.0000  0.2273  0.0972  1.0
  Ge  Ge3  8  0.0000  0.3776  0.5443  1.0
  Ge  Ge4  4  0.0000  0.3577  0.2500  1.0
]