data_[Ce12Ge12Ru8]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5475]
_cell_length_b [14.8876]
_cell_length_c [6.0833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ce3Ge3Ru2]
_chemical_formula_sum '[Ce12 Ge12 Ru8]'
_cell_volume [683.5377]
_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  0.0205  0.6036  0.6306  1
  Ce  Ce1  4  0.1474  0.7500  0.1410  1
  Ge  Ge2  8  0.1641  0.5477  0.0903  1
  Ge  Ge3  4  0.1966  0.2500  0.1257  1
  Ru  Ru4  8  0.1561  0.1028  0.8986  1
]