data_ScNbInBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbInBi
_chemical_formula_sum   'Sc1 Nb1 In1 Bi1'
_cell_volume   97.11
_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  Sc3  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.82  0.82  0.82  1.0
  In  In1  1  0.65  0.65  0.65  1.0
  Bi  Bi0  1  0.47  0.47  0.47  1.0

data_ScNbInBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScNbInBi
_chemical_formula_sum   'Sc3 Nb3 In3 Bi3'
_cell_volume   291.33
_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
  Sc  Sc0  3  0.0  0.0  0.0  1.0
  Nb  Nb1  3  0.0  0.0  0.18  1.0
  In  In2  3  0.0  0.0  0.35  1.0
  Bi  Bi3  3  0.0  0.0  0.53  1.0

Sc Nb In Bi
Sc Nb In Bi 0 1 - - - 1 2 o o o 2 3 o o o 
ScNbInBi crystallizes in the trigonal R3m space group. Sc(1) is bonded in a 7-coordinate geometry to one Nb(1), three equivalent In(1), and three equivalent Bi(1) atoms. The Sc(1)-Nb(1) bond length is 2.22 Å. All Sc(1)-In(1) bond lengths are 2.99 Å. All Sc(1)-Bi(1) bond lengths are 3.46 Å. Nb(1) is bonded to one Sc(1), one In(1), and three equivalent Bi(1) atoms to form distorted NbScInBi3 trigonal bipyramids that share corners with six equivalent Nb(1)ScInBi3 trigonal bipyramids and edges with three equivalent In(1)Sc3NbBi trigonal bipyramids. The Nb(1)-In(1) bond length is 2.22 Å. All Nb(1)-Bi(1) bond lengths are 2.99 Å. In(1) is bonded to three equivalent Sc(1), one Nb(1), and one Bi(1) atom to form distorted InSc3NbBi trigonal bipyramids that share corners with six equivalent In(1)Sc3NbBi trigonal bipyramids and edges with three equivalent Nb(1)ScInBi3 trigonal bipyramids. The In(1)-Bi(1) bond length is 2.22 Å. Bi(1) is bonded in a 7-coordinate geometry to three equivalent Sc(1), three equivalent Nb(1), and one In(1) atom.