data_[Tb12Cd3Ga6Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0887]
_cell_length_b [5.0887]
_cell_length_c [24.7926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb4CdGa2Ru]
_chemical_formula_sum '[Tb12 Cd3 Ga6 Ru3]'
_cell_volume [555.9844]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1312  1.0
  Tb  Tb1  6  0.0000  0.0000  0.3837  1.0
  Cd  Cd2  3  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  6  0.0000  0.0000  0.2561  1.0
  Ru  Ru4  3  -0.0000  -0.0000  0.5000  1.0
]