data_[Tb18Y8Al22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [15.4557]
_cell_length_b [22.3710]
_cell_length_c [3.3788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb9Y4Al11]
_chemical_formula_sum '[Tb18 Y8 Al22]'
_cell_volume [1168.2670]
_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  0.1077  0.0955  0.5000  1
  Tb  Tb1  8  0.1123  0.2744  0.5000  1
  Tb  Tb2  2  0.0000  0.5000  0.5000  1
  Y  Y3  8  0.1759  0.4168  0.5000  1
  Al  Al4  8  0.2267  0.1859  0.0000  1
  Al  Al5  4  0.0000  0.1872  0.0000  1
  Al  Al6  4  0.0000  0.3787  0.0000  1
  Al  Al7  4  0.2018  0.0000  0.0000  1
  Al  Al8  2  0.0000  0.0000  0.0000  1
]