data_[Ce12Ge8Ru8]
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 [Pbcm]
_cell_length_a [5.5776]
_cell_length_b [8.0216]
_cell_length_c [13.2813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Ce3(GeRu)2]
_chemical_formula_sum '[Ce12 Ge8 Ru8]'
_cell_volume [594.2268]
_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  0.1620  0.5984  0.0946  1
  Ce  Ce1  4  0.3730  0.2327  0.2500  1
  Ge  Ge2  4  0.1219  0.6134  0.7500  1
  Ge  Ge3  4  0.3404  0.2500  0.0000  1
  Ru  Ru4  8  0.3655  0.5406  0.5913  1
]