data_[Tb6Ce8Ru8]
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 [Immm]
_cell_length_a [3.6299]
_cell_length_b [9.5674]
_cell_length_c [14.7659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb3(CeRu)4]
_chemical_formula_sum '[Tb6 Ce8 Ru8]'
_cell_volume [512.8004]
_cell_formula_units_Z [2]
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  0.0000  0.1127  1.0
  Tb  Tb1  2  0.0000  0.5000  0.0000  1.0
  Ce  Ce2  8  0.0000  0.1958  0.3368  1.0
  Ru  Ru3  4  0.0000  0.2857  0.5000  1.0
  Ru  Ru4  4  0.0000  0.5000  0.2121  1.0
]