data_CoNi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi2Cl
_chemical_formula_sum   'Co1 Ni2 Cl1'
_cell_volume   52.75
_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  0.01  1.0
  Ni  Ni2  1  0.48  0.48  0.27  1.0
  Ni  Ni3  1  0.48  0.48  0.75  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CoNi2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoNi2Cl
_chemical_formula_sum   'Co2 Ni4 Cl2'
_cell_volume   105.5
_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
  Ni  Ni1  2  0.48  0.0  0.27  1.0
  Ni  Ni2  2  0.48  0.0  0.75  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Co Ni Ni Cl
CoNi2Cl crystallizes in the monoclinic Cm space group. Co(1) is bonded in a single-bond geometry to four equivalent Ni(1) and one Cl(1) atom. There are a spread of Co(1)-Ni(1) bond distances ranging from 2.56-2.69 Å. The Co(1)-Cl(1) bond length is 0.07 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to four equivalent Co(1), one Ni(2), and four equivalent Ni(1) atoms. The Ni(1)-Ni(2) bond length is 2.86 Å. All Ni(1)-Ni(1) bond lengths are 2.96 Å. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Ni(1) and four equivalent Cl(1) atoms. There are a spread of Ni(2)-Cl(1) bond distances ranging from 2.52-2.65 Å. Cl(1) is bonded in a single-bond geometry to one Co(1) and four equivalent Ni(2) atoms.