data_[Tb6Nd6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9926]
_cell_length_b [12.4456]
_cell_length_c [8.3031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TbNdAu]
_chemical_formula_sum '[Tb6 Nd6 Au6]'
_cell_volume [515.9166]
_cell_formula_units_Z [6]
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  0.5000  0.1373  0.3718  1.0
  Tb  Tb1  2  0.5000  0.0000  0.9791  1.0
  Nd  Nd2  4  0.0000  0.1963  0.0576  1.0
  Nd  Nd3  2  0.0000  0.0000  0.6595  1.0
  Au  Au4  4  0.5000  0.1584  0.7206  1.0
  Au  Au5  2  0.0000  0.0000  0.2814  1.0
]