data_[Nd4Er24Sc12]
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 [Cmc2_1]
_cell_length_a [10.2246]
_cell_length_b [18.6357]
_cell_length_c [6.1753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd(Er2Sc)3]
_chemical_formula_sum '[Nd4 Er24 Sc12]'
_cell_volume [1176.6520]
_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  0.2109  0.2901  1
  Er  Er1  8  0.1697  0.4636  0.9811  1
  Er  Er2  8  0.2307  0.2042  0.6423  1
  Er  Er3  4  0.0000  0.0456  0.6392  1
  Er  Er4  4  0.0000  0.3139  0.8289  1
  Sc  Sc5  8  0.1936  0.1132  0.0709  1
  Sc  Sc6  4  0.0000  0.3852  0.3679  1
]