data_[Nd4Y4Er20Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.5578]
_cell_length_b [21.3104]
_cell_length_c [9.3217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NdYEr5Sc2]
_chemical_formula_sum '[Nd4 Y4 Er20 Sc8]'
_cell_volume [1104.0527]
_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
[
  Nd  Nd0  4  0.0000  0.4028  0.9162  1
  Y  Y1  4  0.0000  0.1899  0.5189  1
  Er  Er2  4  0.0000  0.0076  0.5232  1
  Er  Er3  4  0.0000  0.2650  0.8350  1
  Er  Er4  4  0.0000  0.3076  0.2226  1
  Er  Er5  4  0.0000  0.3909  0.5431  1
  Er  Er6  4  0.0000  0.4686  0.2490  1
  Sc  Sc7  4  0.0000  0.1134  0.8245  1
  Sc  Sc8  4  0.0000  0.1439  0.1914  1
]