data_[Dy12Y20Sc4]
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 [I4/mcm]
_cell_length_a [8.5737]
_cell_length_b [8.5737]
_cell_length_c [15.4258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Dy3Y5Sc]
_chemical_formula_sum '[Dy12 Y20 Sc4]'
_cell_volume [1133.9227]
_cell_formula_units_Z [4]
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  16  0.2035  0.2965  0.3601  1
  Dy  Dy1  8  0.1186  0.3814  0.0000  1
  Y  Y2  4  0.0000  0.0000  0.0000  1
  Dy  Dy3  4  0.0000  0.0000  0.2500  1
  Sc  Sc4  4  0.0000  0.5000  0.2500  1
]