data_[Tb18Ru12]
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 [14.3782]
_cell_length_b [4.8317]
_cell_length_c [10.2362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Ru2]
_chemical_formula_sum '[Tb18 Ru12]'
_cell_volume [711.1168]
_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  0.0022  0.5000  0.6655  1.0
  Tb  Tb1  4  0.1607  0.0000  0.3410  1.0
  Tb  Tb2  4  0.1678  0.0000  0.0096  1.0
  Tb  Tb3  4  0.1716  0.0000  0.6751  1.0
  Tb  Tb4  2  0.0000  0.5000  0.0000  1.0
  Ru  Ru5  4  0.0034  0.0000  0.8350  1.0
  Ru  Ru6  4  0.1663  0.5000  0.8343  1.0
  Ru  Ru7  4  0.1692  0.5000  0.5044  1.0
]