data_Sc2NbIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2NbIn
_chemical_formula_sum   'Sc2 Nb1 In1'
_cell_volume   85.54
_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
  Sc  Sc2  1  0.6  0.19  0.53  1.0
  Sc  Sc3  1  0.6  0.81  0.53  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.19  0.0  0.0  1.0

data_Sc2NbIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   107.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2NbIn
_chemical_formula_sum   'Sc2 Nb1 In1'
_cell_volume   85.54
_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
  Sc  Sc0  1  0.53  0.6  0.19  1.0
  Sc  Sc1  1  0.53  0.6  0.81  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  In  In3  1  -0.0  0.19  0.0  1.0

Sc Sc Nb In
Sc2NbIn crystallizes in the triclinic P1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 3-coordinate geometry to two equivalent Sc(2) and two equivalent In(1) atoms. There is one shorter (2.01 Å) and one longer (3.40 Å) Sc(1)-Sc(2) bond length. There is one shorter (2.55 Å) and one longer (2.66 Å) Sc(1)-In(1) bond length. In the second Sc site, Sc(2) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Nb(1), and two equivalent In(1) atoms. Both Sc(2)-Sc(2) bond lengths are 3.06 Å. There is one shorter (2.55 Å) and one longer (2.66 Å) Sc(2)-Nb(1) bond length. There is one shorter (3.03 Å) and one longer (3.13 Å) Sc(2)-In(1) bond length. Nb(1) is bonded in a distorted single-bond geometry to two equivalent Sc(2) and one In(1) atom. The Nb(1)-In(1) bond length is 1.05 Å. In(1) is bonded in a distorted single-bond geometry to two equivalent Sc(1), two equivalent Sc(2), and one Nb(1) atom.