data_Co3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.43
_cell_length_b   4.85
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Ni5
_chemical_formula_sum   'Co3 Ni5'
_cell_volume   80.71
_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  0.0  0.43  1.0
  Co  Co1  1  0.0  0.43  0.0  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.21  0.21  0.14  1.0
  Ni  Ni4  1  0.21  0.64  0.71  1.0
  Ni  Ni5  1  0.21  0.21  0.71  1.0
  Ni  Ni6  1  0.0  0.43  0.43  1.0
  Ni  Ni7  1  0.21  0.64  0.14  1.0

data_Co3Ni5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.43
_cell_length_b   4.85
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Ni5
_chemical_formula_sum   'Co3 Ni5'
_cell_volume   80.71
_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  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.43  1.0
  Co  Co2  1  0.0  0.43  0.0  1.0
  Ni  Ni3  1  0.0  0.43  0.43  1.0
  Ni  Ni4  1  0.21  0.21  0.14  1.0
  Ni  Ni5  1  0.21  0.21  0.72  1.0
  Ni  Ni6  1  0.21  0.64  0.14  1.0
  Ni  Ni7  1  0.21  0.64  0.72  1.0

Co Co Co Ni Ni Ni Ni Ni
Co3Ni5 crystallizes in the triclinic P1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to two equivalent Co(1), one Ni(1), one Ni(2), one Ni(3), one Ni(5), and two equivalent Ni(4) atoms. Both Co(1)-Co(1) bond lengths are 2.43 Å. The Co(1)-Ni(1) bond length is 2.27 Å. The Co(1)-Ni(2) bond length is 2.68 Å. The Co(1)-Ni(3) bond length is 2.27 Å. The Co(1)-Ni(5) bond length is 2.68 Å. There is one shorter (2.06 Å) and one longer (2.79 Å) Co(1)-Ni(4) bond length. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to one Ni(1), one Ni(2), one Ni(3), and one Ni(5) atom. The Co(2)-Ni(1) bond length is 1.52 Å. The Co(2)-Ni(2) bond length is 2.27 Å. The Co(2)-Ni(3) bond length is 2.27 Å. The Co(2)-Ni(5) bond length is 1.52 Å. In the third Co site, Co(3) is bonded in a 1-coordinate geometry to one Ni(1), one Ni(2), and one Ni(3) atom. The Co(3)-Ni(1) bond length is 1.52 Å. The Co(3)-Ni(2) bond length is 2.68 Å. The Co(3)-Ni(3) bond length is 2.27 Å. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted L-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Co(1), one Co(2), one Co(3), one Ni(3), one Ni(4), and two equivalent Ni(2) atoms. The Ni(2)-Ni(3) bond length is 2.06 Å. The Ni(2)-Ni(4) bond length is 2.27 Å. Both Ni(2)-Ni(2) bond lengths are 2.43 Å. In the third Ni site, Ni(3) is bonded in a 7-coordinate geometry to one Co(1), one Co(2), one Co(3), one Ni(2), one Ni(4), and two equivalent Ni(3) atoms. The Ni(3)-Ni(4) bond length is 2.27 Å. Both Ni(3)-Ni(3) bond lengths are 2.43 Å. In the fourth Ni site, Ni(4) is bonded in a 1-coordinate geometry to two equivalent Co(1), one Ni(2), and one Ni(3) atom. In the fifth Ni site, Ni(5) is bonded in a 1-coordinate geometry to one Co(1) and one Co(2) atom.