data_Co3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.94
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   92.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Cl
_chemical_formula_sum   'Co3 Cl1'
_cell_volume   54.89
_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  0.8  0.47  0.37  1.0
  Co  Co2  1  0.33  0.0  0.13  1.0
  Co  Co3  1  0.85  0.47  0.89  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Co3Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   2.97
_cell_length_c   6.28
_cell_angle_alpha   92.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Cl
_chemical_formula_sum   'Co3 Cl1'
_cell_volume   54.89
_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  Co0  1  0.0  0.67  0.87  1.0
  Co  Co1  1  0.53  0.15  0.11  1.0
  Co  Co2  1  0.53  0.2  0.63  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Co Co Co Cl
Co Co Co Cl 0 1 o o o 0 1 o + o 0 1 + o o 0 1 + + o 0 0 + o o 0 0 o + o 0 3 + o o 0 3 + + o 0 2 o o - 1 3 o o o 2 3 + o + 2 3 + + + 
Co3Cl crystallizes in the triclinic P1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 11-coordinate geometry to one Co(3), four equivalent Co(1), four equivalent Co(2), and two equivalent Cl(1) atoms. The Co(1)-Co(3) bond length is 3.26 Å. There are two shorter (2.94 Å) and two longer (2.97 Å) Co(1)-Co(1) bond lengths. There are a spread of Co(1)-Co(2) bond distances ranging from 2.45-2.71 Å. There is one shorter (2.82 Å) and one longer (2.90 Å) Co(1)-Cl(1) bond length. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to four equivalent Co(1) and two equivalent Cl(1) atoms. There is one shorter (1.25 Å) and one longer (2.21 Å) Co(2)-Cl(1) bond length. In the third Co site, Co(3) is bonded in a bent 120 degrees geometry to one Co(1) and two equivalent Cl(1) atoms. There is one shorter (1.59 Å) and one longer (1.74 Å) Co(3)-Cl(1) bond length. Cl(1) is bonded in a 4-coordinate geometry to two equivalent Co(1), two equivalent Co(2), and two equivalent Co(3) atoms.