data_[Tb20Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6721]
_cell_length_b [6.8524]
_cell_length_c [6.9936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb5Au2]
_chemical_formula_sum '[Tb20 Au8]'
_cell_volume [795.3920]
_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  8  0.0935  0.1220  0.9500  1.0
  Tb  Tb1  8  0.2234  0.4413  0.2945  1.0
  Tb  Tb2  4  0.0000  0.4517  0.2500  1.0
  Au  Au3  8  0.1118  0.2848  0.5574  1.0
]