data_ScAlBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   130.33
_cell_angle_beta   130.33
_cell_angle_gamma   72.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlBi2
_chemical_formula_sum   'Sc1 Al1 Bi2'
_cell_volume   102.02
_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  0.54  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.37  0.0  0.27  1.0
  Bi  Bi2  1  0.0  0.37  0.27  1.0

data_ScAlBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   126.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScAlBi2
_chemical_formula_sum   'Sc2 Al2 Bi4'
_cell_volume   204.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.54  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  4  0.31  0.69  0.9  1.0

Sc Al Bi Bi
Sc Al Bi Bi 0 3 o o o 0 3 o o + 0 3 o - o 0 2 - o o 0 2 o o o 0 2 o o + 0 1 o o o 0 1 o o + 1 3 o o o 1 2 o o o 
ScAlBi2 crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a 8-coordinate geometry to two equivalent Al(1) and six equivalent Bi(1) atoms. There is one shorter (2.60 Å) and one longer (3.05 Å) Sc(1)-Al(1) bond length. There are a spread of Sc(1)-Bi(1) bond distances ranging from 2.82-3.29 Å. Al(1) is bonded in a distorted water-like geometry to two equivalent Sc(1) and two equivalent Bi(1) atoms. Both Al(1)-Bi(1) bond lengths are 1.60 Å. Bi(1) is bonded in a distorted single-bond geometry to three equivalent Sc(1) and one Al(1) atom.