data_Co2SiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SiNi
_chemical_formula_sum   'Co2 Si1 Ni1'
_cell_volume   42.3
_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  0.77  0.68  1.0
  Co  Co1  1  0.77  0.0  0.68  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.77  0.77  0.0  1.0

data_Co2SiNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co2SiNi
_chemical_formula_sum   'Co4 Si2 Ni2'
_cell_volume   84.61
_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  4  0.39  0.39  0.68  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Ni  Ni2  2  0.27  0.5  0.0  1.0

Co Co Si Ni
Co Co Si Ni 0 1 - + o 0 3 - o + 0 2 o + + 1 3 o - + 1 2 + o + 2 3 - - o 
Co2NiSi is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Co2NiSi clusters. Co(1) is bonded in a 3-coordinate geometry to one Co(1), one Ni(1), and one Si(1) atom. The Co(1)-Co(1) bond length is 1.14 Å. The Co(1)-Ni(1) bond length is 1.34 Å. The Co(1)-Si(1) bond length is 1.34 Å. Ni(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one Si(1) atom. The Ni(1)-Si(1) bond length is 1.14 Å. Si(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one Ni(1) atom.