data_[Tb6Ru18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1645]
_cell_length_b [5.3428]
_cell_length_c [9.1062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbRu3]
_chemical_formula_sum '[Tb6 Ru18]'
_cell_volume [422.7222]
_cell_formula_units_Z [6]
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  0.1446  0.0000  0.4187  1
  Tb  Tb1  2  0.0000  0.0000  0.0000  1
  Ru  Ru2  8  0.1665  0.2346  0.7613  1
  Ru  Ru3  4  0.0873  0.5000  0.2617  1
  Ru  Ru4  4  0.1381  0.5000  0.9927  1
  Ru  Ru5  2  0.0000  0.5000  0.5000  1
]