data_[Tb6Al14Au8]
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 [C2/m]
_cell_length_a [16.0633]
_cell_length_b [4.3329]
_cell_length_c [9.7388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Al7Au4]
_chemical_formula_sum '[Tb6 Al14 Au8]'
_cell_volume [543.8137]
_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  0.1892  0.5000  0.1875  1
  Tb  Tb1  2  0.0000  0.0000  0.5000  1
  Al  Al2  4  0.0019  0.5000  0.7961  1
  Al  Al3  4  0.1515  0.0000  0.9245  1
  Al  Al4  4  0.1748  0.5000  0.5322  1
  Al  Al5  2  0.0000  0.0000  0.0000  1
  Au  Au6  4  0.1269  0.0000  0.3505  1
  Au  Au7  4  0.1546  0.5000  0.7761  1
]