data_[Tb18Er8Al22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [15.3888]
_cell_length_b [22.2736]
_cell_length_c [3.3753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb9Er4Al11]
_chemical_formula_sum '[Tb18 Er8 Al22]'
_cell_volume [1156.9396]
_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  0.1092  0.0946  0.0000  1
  Tb  Tb1  8  0.1125  0.2739  0.0000  1
  Tb  Tb2  2  0.0000  0.5000  0.0000  1
  Er  Er3  8  0.1744  0.4167  0.0000  1
  Al  Al4  8  0.2276  0.1851  0.5000  1
  Al  Al5  4  0.0000  0.1861  0.5000  1
  Al  Al6  4  0.0000  0.3786  0.5000  1
  Al  Al7  4  0.2060  0.0000  0.5000  1
  Al  Al8  2  0.0000  0.0000  0.5000  1
]