data_[Nd12Sm8Sc16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2771]
_cell_length_b [11.3589]
_cell_length_c [5.8695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3(SmSc2)2]
_chemical_formula_sum '[Nd12 Sm8 Sc16]'
_cell_volume [1075.0107]
_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  0.1593  0.1153  0.6131  1
  Nd  Nd1  4  0.0000  0.3735  0.7500  1
  Sm  Sm2  8  0.1253  0.3730  0.2974  1
  Sc  Sc3  8  0.0493  0.1224  0.0411  1
  Sc  Sc4  8  0.2339  0.3648  0.8457  1
]