data_Co2NiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2NiCl
_chemical_formula_sum   'Co2 Ni1 Cl1'
_cell_volume   49.83
_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  0.27  0.79  0.37  1.0
  Co  Co2  1  0.27  0.21  0.37  1.0
  Ni  Ni3  1  0.54  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Co2NiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   109.26
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2NiCl
_chemical_formula_sum   'Co2 Ni1 Cl1'
_cell_volume   49.83
_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  0.37  0.27  0.21  1.0
  Co  Co1  1  0.37  0.27  0.79  1.0
  Ni  Ni2  1  0.0  0.54  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Co Co Ni Cl
Co Co Ni Cl 0 3 o + o 0 1 o + o 0 2 o + o 1 3 o o o 1 2 o o o 
Co2NiCl crystallizes in the triclinic P1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to two equivalent Co(2), two equivalent Ni(1), and two equivalent Cl(1) atoms. There is one shorter (1.85 Å) and one longer (2.54 Å) Co(1)-Co(2) bond length. There is one shorter (1.60 Å) and one longer (2.13 Å) Co(1)-Ni(1) bond length. There is one shorter (2.00 Å) and one longer (2.44 Å) Co(1)-Cl(1) bond length. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to two equivalent Co(1) and two equivalent Cl(1) atoms. There is one shorter (1.60 Å) and one longer (2.13 Å) Co(2)-Cl(1) bond length. Ni(1) is bonded in a 2-coordinate geometry to two equivalent Co(1) and one Cl(1) atom. The Ni(1)-Cl(1) bond length is 2.02 Å. Cl(1) is bonded in a 4-coordinate geometry to two equivalent Co(1), two equivalent Co(2), and one Ni(1) atom.