data_[Dy4Er20Th4Sc8]
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
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.5716]
_cell_length_b [21.0998]
_cell_length_c [9.3420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [DyEr5ThSc2]
_chemical_formula_sum '[Dy4 Er20 Th4 Sc8]'
_cell_volume [1098.2317]
_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
[
  Dy  Dy0  4  0.0000  0.4033  0.9203  1
  Er  Er1  4  0.0000  0.0092  0.5151  1
  Er  Er2  4  0.0000  0.2651  0.8354  1
  Er  Er3  4  0.0000  0.3057  0.2157  1
  Er  Er4  4  0.0000  0.3897  0.5427  1
  Er  Er5  4  0.0000  0.4693  0.2460  1
  Th  Th6  4  0.0000  0.1854  0.5229  1
  Sc  Sc7  4  0.0000  0.1127  0.8212  1
  Sc  Sc8  4  0.0000  0.1365  0.2047  1
]