data_[Tb16Pd4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4452]
_cell_length_b [13.3298]
_cell_length_c [5.8278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tb8Pd2Au]
_chemical_formula_sum '[Tb16 Pd4 Au2]'
_cell_volume [621.5799]
_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  0.2110  0.1258  0.6152  1
  Tb  Tb1  4  0.2834  0.3740  0.4192  1
  Tb  Tb2  4  0.4983  0.2794  0.0103  1
  Tb  Tb3  2  0.1224  0.5000  0.8277  1
  Tb  Tb4  2  0.3696  0.0000  0.1941  1
  Pd  Pd5  4  0.4956  0.1985  0.5078  1
  Au  Au6  2  0.4975  0.5000  0.8733  1
]