data_KVCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KVCo2
_chemical_formula_sum   'K1 V1 Co2'
_cell_volume   66.38
_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  K2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.98  1.0
  Co  Co0  1  0.44  0.44  0.29  1.0
  Co  Co1  1  0.44  0.44  0.67  1.0

data_KVCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KVCo2
_chemical_formula_sum   'K2 V2 Co4'
_cell_volume   132.76
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  V  V1  2  0.0  0.0  0.98  1.0
  Co  Co2  2  0.44  0.0  0.29  1.0
  Co  Co3  2  0.44  0.0  0.67  1.0

K V Co Co
K V Co Co 0 1 o o - 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 0 3 o o - 0 3 o - - 0 3 - o - 0 3 - - - 1 2 o o + 1 2 o - + 1 2 - o + 1 2 - - + 1 3 o o o 1 3 o - o 1 3 - o o 1 3 - - o 2 2 + o o 2 2 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
KVCo2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a single-bond geometry to one V(1) and four equivalent Co(1) atoms. The K(1)-V(1) bond length is 0.15 Å. There are a spread of K(1)-Co(1) bond distances ranging from 2.96-3.26 Å. V(1) is bonded in a single-bond geometry to one K(1) and four equivalent Co(2) atoms. There are a spread of V(1)-Co(2) bond distances ranging from 3.08-3.37 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to four equivalent K(1), one Co(2), and four equivalent Co(1) atoms. The Co(1)-Co(2) bond length is 2.99 Å. All Co(1)-Co(1) bond lengths are 2.89 Å. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to four equivalent V(1), one Co(1), and four equivalent Co(2) atoms. All Co(2)-Co(2) bond lengths are 2.89 Å.