data_[Dy1Er12Sc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8996]
_cell_length_b [4.8996]
_cell_length_c [19.5690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Dy(Er4Sc)3]
_chemical_formula_sum '[Dy1 Er12 Sc3]'
_cell_volume [469.7784]
_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
[
  Dy  Dy0  1  0.0000  0.0000  0.0000  1
  Er  Er1  4  0.0000  0.5000  0.1285  1
  Er  Er2  4  0.0000  0.5000  0.3763  1
  Er  Er3  2  0.5000  0.5000  0.2529  1
  Er  Er4  1  0.5000  0.5000  0.0000  1
  Er  Er5  1  0.5000  0.5000  0.5000  1
  Sc  Sc6  2  0.0000  0.0000  0.2522  1
  Sc  Sc7  1  0.0000  0.0000  0.5000  1
]