data_[Tb6Y2Al4]
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 [Pmc2_1]
_cell_length_a [5.1206]
_cell_length_b [9.5027]
_cell_length_c [6.5879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Tb3YAl2]
_chemical_formula_sum '[Tb6 Y2 Al4]'
_cell_volume [320.5613]
_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  2  0.0000  0.0417  0.4733  1
  Tb  Tb1  2  0.0000  0.3236  0.8130  1
  Tb  Tb2  2  0.5000  0.1764  0.1876  1
  Y  Y3  2  0.5000  0.4578  0.5262  1
  Al  Al4  2  0.0000  0.3532  0.2919  1
  Al  Al5  2  0.5000  0.1477  0.7080  1
]