data_[Nd4Sm12Sc4]
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/m]
_cell_length_a [21.6949]
_cell_length_b [3.6161]
_cell_length_c [8.5172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdSm3Sc]
_chemical_formula_sum '[Nd4 Sm12 Sc4]'
_cell_volume [644.7821]
_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  0.0913  0.5000  0.5946  1.0
  Sm  Sm1  4  0.0182  0.0000  0.2233  1.0
  Sm  Sm2  4  0.1191  0.5000  0.0150  1.0
  Sm  Sm3  4  0.1881  0.0000  0.3740  1.0
  Sc  Sc4  4  0.2199  0.0000  0.8328  1.0
]