data_[Nd16Y12Sc8]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [9.6222]
_cell_length_b [16.9189]
_cell_length_c [7.0408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Nd4Y3Sc2]
_chemical_formula_sum '[Nd16 Y12 Sc8]'
_cell_volume [1146.2260]
_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  0.1650  0.9870  0.0000  1.0
  Nd  Nd1  8  0.1737  0.3388  0.0000  1.0
  Y  Y2  8  0.0000  0.1752  0.2500  1.0
  Y  Y3  4  0.0000  0.5000  0.2500  1.0
  Sc  Sc4  8  0.1608  0.3274  0.5000  1.0
]