data_VBi4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   6.28
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBi4Mo
_chemical_formula_sum   'V1 Bi4 Mo1'
_cell_volume   175.55
_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
  V  V5  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.56  0.56  0.33  1.0
  Bi  Bi1  1  0.56  0.33  0.56  1.0
  Bi  Bi2  1  0.33  0.56  0.56  1.0
  Bi  Bi3  1  0.33  0.33  0.33  1.0
  Mo  Mo4  1  0.67  0.67  0.67  1.0

data_VBi4Mo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   15.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VBi4Mo
_chemical_formula_sum   'V3 Bi12 Mo3'
_cell_volume   526.64
_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
  V  V0  3  0.0  0.0  0.0  1.0
  Bi  Bi1  9  0.15  0.08  0.52  1.0
  Bi  Bi2  3  0.0  0.0  0.67  1.0
  Mo  Mo3  3  0.0  0.0  0.33  1.0

V Bi Bi Bi Bi Mo
V Bi Bi Bi Bi Mo 0 1 - - o 0 1 - o o 0 1 o - o 0 5 - - o 0 5 - o - 0 5 o - - 0 2 - o - 0 2 - o o 0 2 o o - 0 4 - o o 0 4 o - o 0 4 o o - 0 3 o - - 0 3 o - o 0 3 o o - 1 2 o o o 1 3 o o o 1 4 o o o 1 5 o o o 1 5 o o - 2 3 o o o 2 4 o o o 2 5 o o o 2 5 o - o 3 4 o o o 3 5 o o o 3 5 - o o 4 5 o o - 4 5 o - o 4 5 - o o 
VMoBi4 crystallizes in the trigonal R3m space group. V(1) is bonded in a hexagonal planar geometry to three equivalent Mo(1) and three equivalent Bi(2) atoms. All V(1)-Mo(1) bond lengths are 3.63 Å. All V(1)-Bi(2) bond lengths are 3.63 Å. Mo(1) is bonded to three equivalent V(1), three equivalent Bi(2), and six equivalent Bi(1) atoms to form a mixture of corner and edge-sharing MoV3Bi9 cuboctahedra. All Mo(1)-Bi(2) bond lengths are 3.63 Å. There are three shorter (2.95 Å) and three longer (3.62 Å) Mo(1)-Bi(1) bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 2-coordinate geometry to two equivalent Mo(1), one Bi(2), and two equivalent Bi(1) atoms. The Bi(1)-Bi(2) bond length is 2.50 Å. Both Bi(1)-Bi(1) bond lengths are 1.44 Å. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to three equivalent V(1), three equivalent Mo(1), and three equivalent Bi(1) atoms.