data_Al2CrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrBi
_chemical_formula_sum   'Al2 Cr1 Bi1'
_cell_volume   82.46
_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
  Al  Al0  1  0.18  0.18  0.18  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.45  0.45  0.45  1.0
  Bi  Bi2  1  0.73  0.73  0.73  1.0

data_Al2CrBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   11.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Al2CrBi
_chemical_formula_sum   'Al6 Cr3 Bi3'
_cell_volume   247.39
_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
  Al  Al0  3  0.0  0.0  0.0  1.0
  Al  Al1  3  0.0  0.0  0.82  1.0
  Cr  Cr2  3  0.0  0.0  0.55  1.0
  Bi  Bi3  3  0.0  0.0  0.27  1.0

Al Al Cr Bi
CrAl2Bi crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 11-coordinate geometry to three equivalent Al(2), four equivalent Al(1), and four equivalent Bi(1) atoms. All Cr(1)-Al(2) bond lengths are 3.17 Å. There are three shorter (2.91 Å) and one longer (3.26 Å) Cr(1)-Al(1) bond length. There are three shorter (2.91 Å) and one longer (3.26 Å) Cr(1)-Bi(1) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 8-coordinate geometry to four equivalent Cr(1), one Al(2), and three equivalent Bi(1) atoms. The Al(1)-Al(2) bond length is 2.18 Å. All Al(1)-Bi(1) bond lengths are 3.17 Å. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to three equivalent Cr(1), one Al(1), and four equivalent Bi(1) atoms. There are three shorter (2.91 Å) and one longer (3.26 Å) Al(2)-Bi(1) bond length. Bi(1) is bonded in a 11-coordinate geometry to four equivalent Cr(1), three equivalent Al(1), and four equivalent Al(2) atoms.