data_V4CuMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V4CuMo
_chemical_formula_sum   'V4 Cu1 Mo1'
_cell_volume   83.84
_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  V2  1  0.62  0.62  0.62  1.0
  V  V3  1  0.33  0.62  0.33  1.0
  V  V4  1  0.62  0.33  0.33  1.0
  V  V5  1  0.33  0.33  0.62  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.21  0.21  0.21  1.0

data_V4CuMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   12.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   V4CuMo
_chemical_formula_sum   'V12 Cu3 Mo3'
_cell_volume   251.51
_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  9  0.1  0.2  0.58  1.0
  V  V1  3  0.0  0.0  0.38  1.0
  Cu  Cu2  3  0.0  0.0  0.0  1.0
  Mo  Mo3  3  0.0  0.0  0.79  1.0

V V V V Cu Mo
V4MoCu crystallizes in the trigonal R3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 15-coordinate geometry to nine equivalent V(2), three equivalent Mo(1), and three equivalent Cu(1) atoms. There are three shorter (2.52 Å) and six longer (3.01 Å) V(1)-V(2) bond lengths. All V(1)-Mo(1) bond lengths are 2.99 Å. All V(1)-Cu(1) bond lengths are 2.89 Å. In the second V site, V(2) is bonded in a 4-coordinate geometry to two equivalent V(2), three equivalent V(1), two equivalent Mo(1), and one Cu(1) atom. Both V(2)-V(2) bond lengths are 1.45 Å. There is one shorter (2.46 Å) and one longer (2.71 Å) V(2)-Mo(1) bond length. The V(2)-Cu(1) bond length is 2.28 Å. Mo(1) is bonded in a 13-coordinate geometry to three equivalent V(1), six equivalent V(2), and four equivalent Cu(1) atoms. There is one shorter (2.53 Å) and three longer (3.20 Å) Mo(1)-Cu(1) bond lengths. Cu(1) is bonded in a 3-coordinate geometry to three equivalent V(1), three equivalent V(2), and four equivalent Mo(1) atoms.