data_[Nd4Sm8Sc4]
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 [Pnma]
_cell_length_a [13.1574]
_cell_length_b [5.5162]
_cell_length_c [7.0446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdSm2Sc]
_chemical_formula_sum '[Nd4 Sm8 Sc4]'
_cell_volume [511.2857]
_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  0.0792  0.2500  0.1284  1
  Sm  Sm1  4  0.0758  0.2500  0.6228  1
  Sm  Sm2  4  0.1884  0.7500  0.8757  1
  Sc  Sc3  4  0.1855  0.7500  0.3758  1
]