data_AlBi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBi2Mo
_chemical_formula_sum   'Al1 Bi2 Mo1'
_cell_volume   92.53
_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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.59  0.59  0.59  1.0
  Bi  Bi2  1  0.79  0.79  0.79  1.0
  Mo  Mo3  1  0.38  0.38  0.38  1.0

data_AlBi2Mo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlBi2Mo
_chemical_formula_sum   'Al3 Bi6 Mo3'
_cell_volume   277.6
_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
  Bi  Bi1  3  0.0  0.0  0.21  1.0
  Bi  Bi2  3  0.0  0.0  0.41  1.0
  Mo  Mo3  3  0.0  0.0  0.62  1.0

Al Bi Bi Mo
MoAlBi2 crystallizes in the trigonal R3m space group. Mo(1) is bonded in a 10-coordinate geometry to three equivalent Al(1), three equivalent Bi(2), and four equivalent Bi(1) atoms. All Mo(1)-Al(1) bond lengths are 3.00 Å. All Mo(1)-Bi(2) bond lengths are 3.08 Å. There is one shorter (2.55 Å) and three longer (3.34 Å) Mo(1)-Bi(1) bond lengths. Al(1) is bonded in a 10-coordinate geometry to three equivalent Mo(1), three equivalent Bi(1), and four equivalent Bi(2) atoms. All Al(1)-Bi(1) bond lengths are 3.08 Å. There is one shorter (2.55 Å) and three longer (3.34 Å) Al(1)-Bi(2) bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to four equivalent Mo(1), three equivalent Al(1), and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 2.55 Å. In the second Bi site, Bi(2) is bonded in a distorted single-bond geometry to three equivalent Mo(1), four equivalent Al(1), and one Bi(1) atom.