data_KV5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KV5
_chemical_formula_sum   'K1 V5'
_cell_volume   102.09
_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  0.85  0.85  0.85  1.0
  V  V2  1  0.58  0.58  0.58  1.0
  V  V3  1  0.84  0.58  0.84  1.0
  V  V4  1  0.84  0.84  0.58  1.0
  V  V5  1  0.58  0.84  0.84  1.0

data_KV5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   12.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KV5
_chemical_formula_sum   'K3 V15'
_cell_volume   306.26
_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  3  0.0  0.0  0.0  1.0
  V  V1  9  0.17  0.09  0.25  1.0
  V  V2  3  0.0  0.0  0.15  1.0
  V  V3  3  0.0  0.0  0.42  1.0

K V V V V V
K V V V V V 0 1 - - - 1 5 o o o 1 4 o o o 1 3 o o o 2 5 o o o 2 4 o o o 2 3 o o o 3 5 o o o 3 4 o o o 4 5 o o o 
KV5 crystallizes in the trigonal R3m space group. K(1) is bonded to one V(1), three equivalent V(2), and three equivalent V(3) atoms to form distorted corner-sharing KV7 tetrahedra. The K(1)-V(1) bond length is 1.87 Å. All K(1)-V(2) bond lengths are 3.23 Å. All K(1)-V(3) bond lengths are 2.50 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded in a distorted single-bond geometry to one K(1), three equivalent V(2), and three equivalent V(3) atoms. All V(1)-V(2) bond lengths are 3.12 Å. All V(1)-V(3) bond lengths are 1.53 Å. In the second V site, V(2) is bonded in a 15-coordinate geometry to three equivalent K(1), three equivalent V(1), and nine equivalent V(3) atoms. There are three shorter (2.38 Å) and six longer (3.40 Å) V(2)-V(3) bond lengths. In the third V site, V(3) is bonded in a 4-coordinate geometry to one K(1), one V(1), two equivalent V(3), and three equivalent V(2) atoms. Both V(3)-V(3) bond lengths are 1.37 Å.