data_[Tb36Pt3Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.8307]
_cell_length_b [12.8307]
_cell_length_c [12.0439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb12PtAu6]
_chemical_formula_sum '[Tb36 Pt3 Au18]'
_cell_volume [1717.1079]
_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  18  0.0311  0.8158  0.3956  1
  Tb  Tb1  18  0.0452  0.8388  0.8862  1
  Pt  Pt2  3  0.0000  0.0000  0.0000  1
  Au  Au3  18  0.0478  0.7811  0.6470  1
]