data_BaVW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVW
_chemical_formula_sum   'Ba1 V1 W1'
_cell_volume   70.29
_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
  Ba  Ba0  1  0.64  0.64  0.64  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.28  0.28  0.28  1.0

data_BaVW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   11.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaVW
_chemical_formula_sum   'Ba3 V3 W3'
_cell_volume   210.86
_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
  Ba  Ba0  3  0.0  0.0  0.36  1.0
  V  V1  3  0.0  0.0  0.0  1.0
  W  W2  3  0.0  0.0  0.72  1.0

Ba V W
Ba V W 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 1 2 - o o 1 2 o - o 1 2 o o - 1 2 o o o 
BaVW crystallizes in the trigonal R3m space group. Ba(1) is bonded in a distorted hexagonal planar geometry to three equivalent V(1) and three equivalent W(1) atoms. All Ba(1)-V(1) bond lengths are 2.69 Å. All Ba(1)-W(1) bond lengths are 2.69 Å. V(1) is bonded to three equivalent Ba(1) and four equivalent W(1) atoms to form a mixture of distorted corner and edge-sharing VBa3W4 hexagonal pyramids. There are three shorter (2.75 Å) and one longer (3.13 Å) V(1)-W(1) bond length. W(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1) and four equivalent V(1) atoms.