data_[Nd22Y18Sc8]
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 [Cmmm]
_cell_length_a [16.9168]
_cell_length_b [25.5823]
_cell_length_c [3.6148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd11Y9Sc4]
_chemical_formula_sum '[Nd22 Y18 Sc8]'
_cell_volume [1564.3658]
_cell_formula_units_Z [2]
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  0.2267  0.1800  0.0000  1
  Nd  Nd1  4  0.0000  0.1595  0.0000  1
  Nd  Nd2  4  0.0000  0.3707  0.0000  1
  Nd  Nd3  4  0.2011  0.5000  0.0000  1
  Nd  Nd4  2  0.0000  0.0000  0.0000  1
  Y  Y5  8  0.1025  0.2689  0.5000  1
  Y  Y6  8  0.1453  0.0720  0.5000  1
  Y  Y7  2  0.0000  0.5000  0.5000  1
  Sc  Sc8  8  0.1563  0.3980  0.5000  1
]