data_[Tb2Dy4Sc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4912]
_cell_length_b [3.4912]
_cell_length_c [25.2848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb2Dy4Sc3]
_chemical_formula_sum '[Tb2 Dy4 Sc3]'
_cell_volume [266.8921]
_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  0.1258  1.0
  Tb  Tb1  1  0.0000  0.0000  0.9155  1.0
  Dy  Dy2  1  0.0000  0.0000  0.5683  1.0
  Dy  Dy3  1  0.0000  0.0000  0.7776  1.0
  Dy  Dy4  1  0.3333  0.6667  0.2420  1.0
  Dy  Dy5  1  0.3333  0.6667  0.4528  1.0
  Sc  Sc6  1  0.0000  0.0000  0.3473  1.0
  Sc  Sc7  1  0.3333  0.6667  0.0195  1.0
  Sc  Sc8  1  0.3333  0.6667  0.6741  1.0
]