data_KMgCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgCo2
_chemical_formula_sum   'K1 Mg1 Co2'
_cell_volume   71.87
_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  0.6  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.4  0.4  0.88  1.0
  Co  Co1  1  0.4  0.4  0.33  1.0

data_KMgCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMgCo2
_chemical_formula_sum   'K2 Mg2 Co4'
_cell_volume   143.74
_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  0.6  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Co  Co2  2  0.4  0.0  0.33  1.0
  Co  Co3  2  0.4  0.0  0.88  1.0

K Mg Co Co
KMgCo2 crystallizes in the monoclinic Cm space group. K(1) is bonded to four equivalent K(1), four equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of distorted face and corner-sharing KK4Co8 cuboctahedra. All K(1)-K(1) bond lengths are 2.79 Å. There are a spread of K(1)-Co(1) bond distances ranging from 2.97-3.47 Å. There are a spread of K(1)-Co(2) bond distances ranging from 2.97-3.47 Å. Mg(1) is bonded in a 3-coordinate geometry to one Co(2) and three equivalent Co(1) atoms. The Mg(1)-Co(2) bond length is 3.41 Å. There is one shorter (1.93 Å) and two longer (2.31 Å) Mg(1)-Co(1) bond lengths. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to four equivalent K(1) and three equivalent Mg(1) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to four equivalent K(1), one Mg(1), and four equivalent Co(2) atoms. All Co(2)-Co(2) bond lengths are 2.79 Å.