data_Nd2SmNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2SmNb
_chemical_formula_sum   'Nd2 Sm1 Nb1'
_cell_volume   113.28
_cell_formula_units_Z   1
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  Nd1  1  0.76  0.76  0.76  1.0
  Nd  Nd2  1  0.92  0.92  0.92  1.0
  Sm  Sm3  1  0.84  0.84  0.84  1.0
  Nb  Nb0  1  0.0  0.0  0.0  1.0

data_Nd2SmNb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   13.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Nd2SmNb
_chemical_formula_sum   'Nd6 Sm3 Nb3'
_cell_volume   339.83
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.08  1.0
  Nd  Nd1  3  0.0  0.0  0.24  1.0
  Sm  Sm2  3  0.0  0.0  0.16  1.0
  Nb  Nb3  3  0.0  0.0  -0.0  1.0

Nd Nd Sm Nb
SmNd2Nb crystallizes in the trigonal R3m space group. Sm(1) is bonded in a linear geometry to one Nd(1) and one Nd(2) atom. The Sm(1)-Nd(1) bond length is 1.06 Å. The Sm(1)-Nd(2) bond length is 1.06 Å. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one Sm(1) and three equivalent Nb(1) atoms to form distorted corner-sharing NdSmNb3 tetrahedra. All Nd(1)-Nb(1) bond lengths are 3.38 Å. In the second Nd site, Nd(2) is bonded in a distorted linear geometry to one Sm(1) and one Nb(1) atom. The Nd(2)-Nb(1) bond length is 1.06 Å. Nb(1) is bonded in a single-bond geometry to one Nd(2) and three equivalent Nd(1) atoms.