data_[Tb3Zn36Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.5936]
_cell_length_b [11.5936]
_cell_length_c [8.7755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb(Zn2Au)6]
_chemical_formula_sum '[Tb3 Zn36 Au18]'
_cell_volume [1021.4911]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  18  0.0000  0.3916  0.5000  1.0
  Zn  Zn2  18  0.0812  0.9188  0.2988  1.0
  Au  Au3  18  0.0489  0.5244  0.2367  1.0
]