data_[Nd8Sm6Sc2]
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 [Pmn2_1]
_cell_length_a [11.7637]
_cell_length_b [7.2566]
_cell_length_c [6.2767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd4Sm3Sc]
_chemical_formula_sum '[Nd8 Sm6 Sc2]'
_cell_volume [535.8078]
_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  4  0.2428  0.1300  0.9864  1.0
  Nd  Nd1  2  0.0000  0.1281  0.6388  1.0
  Nd  Nd2  2  0.0000  0.8717  0.1555  1.0
  Sm  Sm3  4  0.2493  0.6198  0.9761  1.0
  Sm  Sm4  2  0.0000  0.6231  0.6503  1.0
  Sc  Sc5  2  0.0000  0.3804  0.1455  1.0
]