data_[Tb6Cd8Au8]
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 [Immm]
_cell_length_a [3.8551]
_cell_length_b [8.0116]
_cell_length_c [16.6757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb3(CdAu)4]
_chemical_formula_sum '[Tb6 Cd8 Au8]'
_cell_volume [515.0363]
_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  0.1098  1.0
  Tb  Tb1  2  0.0000  0.5000  0.0000  1.0
  Cd  Cd2  8  0.0000  0.1858  0.3370  1.0
  Au  Au3  4  0.0000  0.3051  0.5000  1.0
  Au  Au4  4  0.0000  0.5000  0.2530  1.0
]