data_VTe4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTe4W
_chemical_formula_sum   'V1 Te4 W1'
_cell_volume   156.88
_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  V4  1  0.0  0.0  0.0  1.0
  Te  Te0  1  0.21  0.21  0.35  1.0
  Te  Te1  1  0.21  0.35  0.21  1.0
  Te  Te2  1  0.35  0.21  0.21  1.0
  Te  Te3  1  0.35  0.35  0.35  1.0
  W  W5  1  0.14  0.14  0.14  1.0

data_VTe4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   14.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VTe4W
_chemical_formula_sum   'V3 Te12 W3'
_cell_volume   470.63
_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
  Te  Te1  9  0.05  0.09  0.74  1.0
  Te  Te2  3  0.0  0.0  0.65  1.0
  W  W3  3  0.0  0.0  0.86  1.0

V Te Te Te Te W
VWTe4 crystallizes in the trigonal R3m space group. V(1) is bonded in a distorted single-bond geometry to one W(1) and three equivalent Te(1) atoms. The V(1)-W(1) bond length is 2.08 Å. All V(1)-Te(1) bond lengths are 3.21 Å. W(1) is bonded in a distorted single-bond geometry to one V(1) and three equivalent Te(1) atoms. All W(1)-Te(1) bond lengths are 1.80 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one V(1), one W(1), one Te(2), and two equivalent Te(1) atoms. The Te(1)-Te(2) bond length is 1.46 Å. Both Te(1)-Te(1) bond lengths are 0.84 Å. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to three equivalent Te(1) atoms.