data_[Tb22Ag18Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [14.4239]
_cell_length_b [21.7567]
_cell_length_c [3.6659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb11Ag9Au4]
_chemical_formula_sum '[Tb22 Ag18 Au8]'
_cell_volume [1150.4034]
_cell_formula_units_Z [2]
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  0.2413  0.1708  0.0000  1
  Tb  Tb1  4  0.0000  0.1676  0.0000  1
  Tb  Tb2  4  0.0000  0.3558  0.0000  1
  Tb  Tb3  4  0.2244  0.5000  0.0000  1
  Tb  Tb4  2  0.0000  0.0000  0.0000  1
  Ag  Ag5  8  0.1102  0.2587  0.5000  1
  Ag  Ag6  8  0.1302  0.0771  0.5000  1
  Ag  Ag7  2  0.0000  0.5000  0.5000  1
  Au  Au8  8  0.1474  0.4038  0.5000  1
]