data_V4RuW
_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   V4RuW
_chemical_formula_sum   'V4 Ru1 W1'
_cell_volume   83.68
_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  V1  1  0.34  0.34  0.6  1.0
  V  V2  1  0.34  0.6  0.34  1.0
  V  V3  1  0.6  0.34  0.34  1.0
  V  V4  1  0.6  0.6  0.6  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0
  W  W5  1  0.21  0.21  0.21  1.0

data_V4RuW
_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   V4RuW
_chemical_formula_sum   'V12 Ru3 W3'
_cell_volume   251.03
_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  0.09  0.18  0.57  1.0
  V  V1  3  0.0  0.0  0.4  1.0
  Ru  Ru2  3  0.0  0.0  0.0  1.0
  W  W3  3  0.0  0.0  0.79  1.0

V V V V Ru W
V4WRu crystallizes in the trigonal R3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one V(2), two equivalent V(1), one W(1), and one Ru(1) atom. The V(1)-V(2) bond length is 2.26 Å. Both V(1)-V(1) bond lengths are 1.30 Å. The V(1)-W(1) bond length is 2.49 Å. The V(1)-Ru(1) bond length is 2.37 Å. In the second V site, V(2) is bonded in a 9-coordinate geometry to three equivalent V(1), three equivalent W(1), and three equivalent Ru(1) atoms. All V(2)-W(1) bond lengths are 2.94 Å. All V(2)-Ru(1) bond lengths are 2.93 Å. W(1) is bonded in a 3-coordinate geometry to three equivalent V(1) and three equivalent V(2) atoms. Ru(1) is bonded in a 3-coordinate geometry to three equivalent V(1) and three equivalent V(2) atoms.