data_Ca2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   40.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Co
_chemical_formula_sum   'Ca4 Co2'
_cell_volume   160.45
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.3  0.79  0.23  1.0
  Ca  Ca1  1  0.01  0.21  0.68  1.0
  Ca  Ca2  1  0.01  0.79  0.23  1.0
  Ca  Ca3  1  0.3  0.21  0.68  1.0
  Co  Co4  1  0.65  0.29  0.23  1.0
  Co  Co5  1  0.65  0.71  0.68  1.0

data_Ca2Co
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   7.09
_cell_angle_alpha   110.26
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ca2Co
_chemical_formula_sum   'Ca4 Co2'
_cell_volume   160.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ca  Ca0  2  0.27  0.79  0.14  1.0
  Ca  Ca1  2  0.27  0.79  0.43  1.0
  Co  Co2  2  0.27  0.29  0.29  1.0

Ca Ca Ca Ca Co Co
Ca Ca Ca Ca Co Co 0 4 o o o 0 2 o o o 1 3 o o o 1 5 - o o 2 4 - + o 3 5 o - o 
Ca2Co crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Ca2Co clusters. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 1-coordinate geometry to one Co(1) atom. The Ca(1)-Co(1) bond length is 2.29 Å. In the second Ca site, Ca(2) is bonded in a distorted single-bond geometry to one Co(1) atom. The Ca(2)-Co(1) bond length is 2.33 Å. Co(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Ca(2) atom.