data_KV4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KV4
_chemical_formula_sum   'K1 V4'
_cell_volume   130.3
_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  K0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.6  0.4  0.6  1.0
  V  V2  1  0.6  0.6  0.4  1.0
  V  V3  1  0.4  0.6  0.6  1.0
  V  V4  1  0.6  0.6  0.6  1.0

data_KV4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.03
_cell_length_b   9.03
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KV4
_chemical_formula_sum   'K3 V12'
_cell_volume   390.91
_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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  3  0.0  0.0  0.0  1.0
  V  V1  9  0.06  0.13  0.53  1.0
  V  V2  3  0.0  0.0  0.6  1.0

K V V V V
KV4 is Iron carbide-like structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three KV4 clusters. K(1) is bonded in a distorted single-bond geometry to one V(2) atom. The K(1)-V(2) bond length is 2.23 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one V(2) atom. The V(1)-V(2) bond length is 1.07 Å. In the second V site, V(2) is bonded in a tetrahedral geometry to one K(1) and three equivalent V(1) atoms.