data_Sc2InBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InBi
_chemical_formula_sum   'Sc2 In1 Bi1'
_cell_volume   105.26
_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  0.31  0.0  0.67  1.0
  Sc  Sc3  1  0.0  0.0  0.4  1.0
  In  In1  1  0.0  0.0  0.04  1.0
  Bi  Bi0  1  0.31  0.0  0.1  1.0

data_Sc2InBi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sc2InBi
_chemical_formula_sum   'Sc2 In1 Bi1'
_cell_volume   105.29
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.4  1.0
  Sc  Sc1  1  0.31  0.0  0.67  1.0
  In  In2  1  0.0  0.0  0.04  1.0
  Bi  Bi3  1  0.31  0.0  0.1  1.0

Sc Sc In Bi
Sc2InBi crystallizes in the monoclinic Pm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent Sc(2), four equivalent Sc(1), and one In(1) atom to form a mixture of distorted edge and corner-sharing ScSc6In pentagonal bipyramids. There is one shorter (2.75 Å) and one longer (3.43 Å) Sc(1)-Sc(2) bond length. All Sc(1)-Sc(1) bond lengths are 3.30 Å. The Sc(1)-In(1) bond length is 3.75 Å. In the second Sc site, Sc(2) is bonded in a 1-coordinate geometry to two equivalent Sc(1) and one Bi(1) atom. The Sc(2)-Bi(1) bond length is 3.06 Å. In(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Bi(1) atom. The In(1)-Bi(1) bond length is 1.19 Å. Bi(1) is bonded in a distorted single-bond geometry to one Sc(2) and one In(1) atom.