data_[Ce12Ge4Ru8]
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 [C2/m]
_cell_length_a [15.2865]
_cell_length_b [4.5565]
_cell_length_c [8.0310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3GeRu2]
_chemical_formula_sum '[Ce12 Ge4 Ru8]'
_cell_volume [538.0256]
_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  0.0729  0.0000  0.7171  1
  Ce  Ce1  4  0.1063  0.5000  0.3730  1
  Ce  Ce2  4  0.2427  0.0000  0.1837  1
  Ge  Ge3  4  0.0909  0.5000  0.9794  1
  Ru  Ru4  4  0.0649  0.0000  0.1509  1
  Ru  Ru5  4  0.1897  0.0000  0.5534  1
]