data_[Tb36Er18Al3]
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 [R-3]
_cell_length_a [11.7707]
_cell_length_b [11.7707]
_cell_length_c [14.8686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb12Er6Al]
_chemical_formula_sum '[Tb36 Er18 Al3]'
_cell_volume [1784.0510]
_cell_formula_units_Z [3]
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  18  0.0080  0.8308  0.8156  1
  Tb  Tb1  18  0.0473  0.1978  0.4145  1
  Er  Er2  18  0.0253  0.5928  0.6904  1
  Al  Al3  3  0.0000  0.0000  0.0000  1
]