data_[Tb3Sc1Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.5174]
_cell_length_b [5.5174]
_cell_length_c [9.0587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb3ScAl8]
_chemical_formula_sum '[Tb3 Sc1 Al8]'
_cell_volume [238.8141]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.9305  1
  Tb  Tb1  1  0.6667  0.3333  0.0691  1
  Tb  Tb2  1  0.6667  0.3333  0.4349  1
  Sc  Sc3  1  0.0000  0.0000  0.5683  1
  Al  Al4  3  0.1620  0.3240  0.2531  1
  Al  Al5  3  0.5044  0.0089  0.7463  1
  Al  Al6  1  0.3333  0.6667  0.5010  1
  Al  Al7  1  0.3333  0.6667  0.9981  1
]