data_K4VGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4VGa
_chemical_formula_sum   'K4 V1 Ga1'
_cell_volume   344.14
_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
  K  K1  1  0.17  0.17  0.95  1.0
  K  K2  1  0.17  0.95  0.17  1.0
  K  K3  1  0.95  0.17  0.17  1.0
  K  K4  1  0.95  0.95  0.95  1.0
  V  V5  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.78  0.78  0.78  1.0

data_K4VGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   19.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K4VGa
_chemical_formula_sum   'K12 V3 Ga3'
_cell_volume   1032.42
_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
  K  K0  9  0.15  0.07  0.9  1.0
  K  K1  3  0.0  0.0  0.05  1.0
  V  V2  3  0.0  0.0  0.0  1.0
  Ga  Ga3  3  0.0  0.0  0.22  1.0

K K K K V Ga
K4VGa is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three K4VGa clusters. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one V(1) atom. Both K(1)-K(1) bond lengths are 1.72 Å. The K(1)-V(1) bond length is 2.14 Å. In the second K site, K(2) is bonded in a distorted linear geometry to one V(1) and one Ga(1) atom. The K(2)-V(1) bond length is 0.91 Å. The K(2)-Ga(1) bond length is 3.31 Å. V(1) is bonded in a distorted single-bond geometry to one K(2) and three equivalent K(1) atoms. Ga(1) is bonded in a single-bond geometry to one K(2) atom.