data_[Ce8Ge12Ru20]
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 [Cmc2_1]
_cell_length_a [4.2317]
_cell_length_b [25.1270]
_cell_length_c [6.4282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2Ge3Ru5]
_chemical_formula_sum '[Ce8 Ge12 Ru20]'
_cell_volume [683.5045]
_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  4  0.0000  0.1739  0.2412  1
  Ce  Ce1  4  0.0000  0.4895  0.2544  1
  Ge  Ge2  4  0.0000  0.0555  0.4771  1
  Ge  Ge3  4  0.0000  0.2275  0.7329  1
  Ge  Ge4  4  0.0000  0.3888  0.4814  1
  Ru  Ru5  4  0.0000  0.0532  0.0802  1
  Ru  Ru6  4  0.0000  0.1301  0.7407  1
  Ru  Ru7  4  0.0000  0.2912  0.4364  1
  Ru  Ru8  4  0.0000  0.2948  0.0213  1
  Ru  Ru9  4  0.0000  0.3958  0.8992  1
]