data_[Nd8Er20Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [16.4188]
_cell_length_b [10.4931]
_cell_length_c [6.5425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Nd2Er5Sc2]
_chemical_formula_sum '[Nd8 Er20 Sc8]'
_cell_volume [1127.1765]
_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  0.0000  0.9890  1
  Nd  Nd1  4  0.2500  0.5213  0.6848  1
  Er  Er2  8  0.0542  0.7380  0.1875  1
  Er  Er3  8  0.1534  0.1881  0.8441  1
  Er  Er4  4  0.2500  0.6165  0.1952  1
  Sc  Sc5  8  0.0837  0.0348  0.4519  1
]