data_[Ce12Ni8Ge12]
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 [Cmcm]
_cell_length_a [4.2635]
_cell_length_b [10.4093]
_cell_length_c [14.4464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce3Ni2Ge3]
_chemical_formula_sum '[Ce12 Ni8 Ge12]'
_cell_volume [641.1358]
_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  0.0908  0.6094  1
  Ce  Ce1  4  0.0000  0.3743  0.7500  1
  Ni  Ni2  8  0.0000  0.2043  0.0995  1
  Ge  Ge3  8  0.0000  0.3786  0.5394  1
  Ge  Ge4  4  0.0000  0.3296  0.2500  1
]