data_[Tb20Ga8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.8503]
_cell_length_b [7.6113]
_cell_length_c [7.5863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tb5(GaAu)2]
_chemical_formula_sum '[Tb20 Ga8 Au8]'
_cell_volume [915.2254]
_cell_formula_units_Z [4]
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  16  0.1390  0.1789  0.3287  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Ga  Ga2  8  0.0000  0.1197  0.6193  1
  Au  Au3  8  0.2083  0.0000  0.0000  1
]