data_[Tb4Ce8Ru8]
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 [Cmc2_1]
_cell_length_a [3.8215]
_cell_length_b [13.0265]
_cell_length_c [9.8268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb(CeRu)2]
_chemical_formula_sum '[Tb4 Ce8 Ru8]'
_cell_volume [489.1875]
_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  0.0000  0.3564  0.4594  1.0
  Ce  Ce1  4  0.0000  0.0943  0.6435  1.0
  Ce  Ce2  4  0.0000  0.3526  0.8202  1.0
  Ru  Ru3  4  0.0000  0.0180  0.3949  1.0
  Ru  Ru4  4  0.0000  0.2607  0.1674  1.0
]