data_[Tb12Cd6Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3434]
_cell_length_b [5.2687]
_cell_length_c [11.7122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb6Cd3Au]
_chemical_formula_sum '[Tb12 Cd6 Au2]'
_cell_volume [542.0800]
_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  2  0.1074  0.7500  0.8647  1
  Tb  Tb1  2  0.1285  0.7500  0.1532  1
  Tb  Tb2  2  0.1358  0.2500  0.6642  1
  Tb  Tb3  2  0.2524  0.7500  0.4922  1
  Tb  Tb4  2  0.3394  0.2500  0.3230  1
  Tb  Tb5  2  0.4704  0.7500  0.0894  1
  Cd  Cd6  2  0.2311  0.2500  0.0244  1
  Cd  Cd7  2  0.3879  0.7500  0.7793  1
  Cd  Cd8  2  0.4699  0.2500  0.6258  1
  Au  Au9  2  0.0684  0.2500  0.3934  1
]