data_[Nd12Er16Sc8]
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 [C2/c]
_cell_length_a [14.6395]
_cell_length_b [12.6429]
_cell_length_c [6.1413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3(Er2Sc)2]
_chemical_formula_sum '[Nd12 Er16 Sc8]'
_cell_volume [1134.4763]
_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  8  0.0959  0.2194  0.1005  1
  Nd  Nd1  4  0.0000  0.4461  0.7500  1
  Er  Er2  8  0.0953  0.0683  0.5741  1
  Er  Er3  8  0.2168  0.4351  0.1116  1
  Sc  Sc4  8  0.1897  0.3083  0.6323  1
]