data_[Tb8Al20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3793]
_cell_length_b [25.2462]
_cell_length_c [6.9877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2Al5Au3]
_chemical_formula_sum '[Tb8 Al20 Au12]'
_cell_volume [772.5680]
_cell_formula_units_Z [4]
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  0.1741  0.2639  1
  Tb  Tb1  4  0.0000  0.4819  0.2503  1
  Al  Al2  4  0.0000  0.0529  0.4234  1
  Al  Al3  4  0.0000  0.1213  0.7450  1
  Al  Al4  4  0.0000  0.2916  0.4780  1
  Al  Al5  4  0.0000  0.2926  0.0759  1
  Al  Al6  4  0.0000  0.3973  0.5967  1
  Au  Au7  4  0.0000  0.0509  0.0349  1
  Au  Au8  4  0.0000  0.2255  0.7790  1
  Au  Au9  4  0.0000  0.3914  0.9880  1
]