data_[Dy21Y36Sc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [19.3055]
_cell_length_b [19.3055]
_cell_length_c [6.1141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Dy7Y12Sc]
_chemical_formula_sum '[Dy21 Y36 Sc3]'
_cell_volume [1973.4701]
_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
[
  Y  Y0  18  -0.0000  0.4142  0.5000  1
  Dy  Dy1  18  0.0808  0.9192  0.8047  1
  Y  Y2  18  0.0986  0.5493  0.9730  1
  Dy  Dy3  3  0.0000  0.0000  0.5000  1
  Sc  Sc4  3  0.0000  0.0000  0.0000  1
]