data_[Tb4Ce12Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3454]
_cell_length_b [10.8913]
_cell_length_c [7.3240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(CeRu)3]
_chemical_formula_sum '[Tb4 Ce12 Ru12]'
_cell_volume [665.6917]
_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
[
  Tb  Tb0  4  0.2305  0.0000  0.8682  1
  Ce  Ce1  4  0.0000  0.1834  0.5000  1
  Ce  Ce2  4  0.0000  0.2561  0.0000  1
  Ce  Ce3  4  0.1290  0.5000  0.6409  1
  Ru  Ru4  8  0.1905  0.2555  0.2624  1
  Ru  Ru5  4  0.1050  0.0000  0.2267  1
]