data_[Nd8Sm4Sc12]
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 [16.1377]
_cell_length_b [5.3739]
_cell_length_c [9.9220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2SmSc3]
_chemical_formula_sum '[Nd8 Sm4 Sc12]'
_cell_volume [723.1540]
_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  0.0303  0.5000  0.8440  1.0
  Nd  Nd1  4  0.1986  0.0000  0.8444  1.0
  Sm  Sm2  4  0.1350  0.0000  0.1557  1.0
  Sc  Sc3  4  0.0515  0.0000  0.4047  1.0
  Sc  Sc4  4  0.1153  0.5000  0.5951  1.0
  Sc  Sc5  4  0.2190  0.5000  0.4061  1.0
]