data_[Tb1Pd6Au8]
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 [P-3]
_cell_length_a [7.7518]
_cell_length_b [7.7518]
_cell_length_c [5.5415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Tb(Pd3Au4)2]
_chemical_formula_sum '[Tb1 Pd6 Au8]'
_cell_volume [288.3779]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Pd  Pd1  6  0.0418  0.6725  0.3630  1
  Au  Au2  6  0.0244  0.6967  0.8689  1
  Au  Au3  2  0.3333  0.6667  0.6495  1
]