data_CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.42
_cell_length_b   2.42
_cell_length_c   13.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi
_chemical_formula_sum   'Co4 Ni4'
_cell_volume   80.0
_cell_formula_units_Z   4
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  0.21  0.21  0.97  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.21  0.21  0.71  1.0
  Co  Co3  1  0.0  0.0  0.84  1.0
  Ni  Ni4  1  0.0  0.0  0.42  1.0
  Ni  Ni5  1  0.21  0.21  0.13  1.0
  Ni  Ni6  1  0.21  0.21  0.55  1.0
  Ni  Ni7  1  0.0  0.0  0.26  1.0

data_CoNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   13.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoNi
_chemical_formula_sum   'Co8 Ni8'
_cell_volume   160.01
_cell_formula_units_Z   8
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  0.0  1.0
  Co  Co1  2  0.0  0.0  0.84  1.0
  Co  Co2  2  0.21  0.0  0.71  1.0
  Co  Co3  2  0.21  0.0  0.97  1.0
  Ni  Ni4  2  0.0  0.0  0.26  1.0
  Ni  Ni5  2  0.0  0.0  0.42  1.0
  Ni  Ni6  2  0.21  0.0  0.13  1.0
  Ni  Ni7  2  0.21  0.0  0.55  1.0

Co Co Co Co Ni Ni Ni Ni
Co Co Co Co Ni Ni Ni Ni 0 1 o o + 0 3 o o o 0 5 o o + 1 3 o o - 1 5 o o o 2 3 o o o 2 2 + o o 2 2 o + o 2 6 o o o 3 3 + o o 3 3 o + o 4 4 + o o 4 4 o + o 4 7 o o o 4 6 o o o 5 7 o o o 5 5 + o o 5 5 o + o 6 6 + o o 6 6 o + o 7 7 + o o 7 7 o + o 
CoNi crystallizes in the monoclinic Cm space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Co(2) and one Co(4) atom. The Co(1)-Co(2) bond length is 0.82 Å. The Co(1)-Co(4) bond length is 1.92 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one Co(1) and one Ni(2) atom. The Co(2)-Ni(2) bond length is 1.92 Å. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one Co(4), four equivalent Co(3), and one Ni(3) atom. The Co(3)-Co(4) bond length is 1.92 Å. All Co(3)-Co(3) bond lengths are 2.42 Å. The Co(3)-Ni(3) bond length is 2.19 Å. In the fourth Co site, Co(4) is bonded in a 2-coordinate geometry to one Co(1) and one Co(3) atom. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one Ni(3), one Ni(4), and four equivalent Ni(1) atoms. The Ni(1)-Ni(3) bond length is 1.92 Å. The Ni(1)-Ni(4) bond length is 2.19 Å. All Ni(1)-Ni(1) bond lengths are 2.42 Å. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Co(2) and one Ni(4) atom. The Ni(2)-Ni(4) bond length is 1.92 Å. In the third Ni site, Ni(3) is bonded in a 6-coordinate geometry to one Co(3), one Ni(1), and four equivalent Ni(3) atoms. All Ni(3)-Ni(3) bond lengths are 2.42 Å. In the fourth Ni site, Ni(4) is bonded in a 6-coordinate geometry to one Ni(1), one Ni(2), and four equivalent Ni(4) atoms. All Ni(4)-Ni(4) bond lengths are 2.42 Å.