data_Co3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   6.64
_cell_angle_alpha   33.56
_cell_angle_beta   33.56
_cell_angle_gamma   33.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Ni
_chemical_formula_sum   'Co6 Ni2'
_cell_volume   79.61
_cell_formula_units_Z   2
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  0.91  1.0
  Co  Co1  1  0.0  0.0  0.26  1.0
  Co  Co2  1  0.0  0.0  0.6  1.0
  Co  Co3  1  0.0  0.0  0.17  1.0
  Co  Co4  1  0.0  0.0  0.52  1.0
  Co  Co5  1  0.0  0.0  0.87  1.0
  Ni  Ni6  1  0.0  0.0  0.21  1.0
  Ni  Ni7  1  0.0  0.0  0.56  1.0

data_Co3Ni
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.64
_cell_length_b   3.83
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   109.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Co3Ni
_chemical_formula_sum   'Co12 Ni4'
_cell_volume   159.22
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.0  0.0  0.02  1.0
  Co  Co1  4  0.0  0.0  0.29  1.0
  Co  Co2  4  0.0  0.0  0.37  1.0
  Ni  Ni3  4  0.0  0.0  0.33  1.0

Co Co Co Co Co Co Ni Ni
Co Co Co Co Co Co Ni Ni 0 5 o o o 1 6 o o o 2 7 o o o 3 6 o o o 4 7 o o o 
Co3Ni is Indium-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two Co3Ni clusters. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted linear geometry to one Co(1) and one Co(3) atom. The Co(1)-Co(1) bond length is 0.27 Å. The Co(1)-Co(3) bond length is 1.76 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one Ni(1) atom. The Co(2)-Ni(1) bond length is 0.27 Å. In the third Co site, Co(3) is bonded in a distorted single-bond geometry to one Co(1) and one Ni(1) atom. The Co(3)-Ni(1) bond length is 0.27 Å. Ni(1) is bonded in a linear geometry to one Co(2) and one Co(3) atom.