data_Sc2AlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlCr
_chemical_formula_sum   'Sc2 Al1 Cr1'
_cell_volume   72.69
_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  0.66  0.29  0.6  1.0
  Sc  Sc3  1  0.66  0.71  0.6  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.33  0.0  0.0  1.0

data_Sc2AlCr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.2
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sc2AlCr
_chemical_formula_sum   'Sc2 Al1 Cr1'
_cell_volume   72.71
_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  2  0.6  0.29  0.66  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.0  0.0  0.33  1.0

Sc Sc Al Cr
Sc2CrAl crystallizes in the monoclinic Pm space group. Sc(1) is bonded in a 5-coordinate geometry to one Sc(1), two equivalent Cr(1), and two equivalent Al(1) atoms. The Sc(1)-Sc(1) bond length is 1.97 Å. There is one shorter (2.48 Å) and one longer (2.87 Å) Sc(1)-Cr(1) bond length. There is one shorter (2.48 Å) and one longer (2.87 Å) Sc(1)-Al(1) bond length. Cr(1) is bonded in a 5-coordinate geometry to four equivalent Sc(1) and one Al(1) atom. The Cr(1)-Al(1) bond length is 1.55 Å. Al(1) is bonded in a 5-coordinate geometry to four equivalent Sc(1) and one Cr(1) atom.