data_Co3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   20.85
_cell_angle_beta   20.85
_cell_angle_gamma   20.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Cl
_chemical_formula_sum   'Co3 Cl1'
_cell_volume   50.79
_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
  Co  Co1  1  0.0  0.0  0.62  1.0
  Co  Co2  1  0.0  0.0  0.31  1.0
  Co  Co3  1  0.0  0.0  0.99  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Co3Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   2.79
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   102.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co3Cl
_chemical_formula_sum   'Co6 Cl2'
_cell_volume   101.57
_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
  Co  Co0  2  0.0  0.0  0.01  1.0
  Co  Co1  2  0.0  0.0  0.38  1.0
  Co  Co2  2  0.0  0.0  0.69  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Co Co Co Cl
Co Co Co Cl 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o o 0 3 o o + 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 1 2 o o - 2 3 o o + 
Co3Cl crystallizes in the monoclinic Cm space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one Co(2), one Co(3), and six equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing CoCo8 hexagonal bipyramids. The Co(1)-Co(2) bond length is 2.40 Å. The Co(1)-Co(3) bond length is 2.91 Å. All Co(1)-Co(1) bond lengths are 2.79 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one Co(1) and one Cl(1) atom. The Co(2)-Cl(1) bond length is 2.35 Å. In the third Co site, Co(3) is bonded in a single-bond geometry to one Co(1) and one Cl(1) atom. The Co(3)-Cl(1) bond length is 0.05 Å. Cl(1) is bonded in a single-bond geometry to one Co(2) and one Co(3) atom.