data_CuSiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86
_cell_length_b   7.86
_cell_length_c   7.86
_cell_angle_alpha   19.15
_cell_angle_beta   19.15
_cell_angle_gamma   19.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSiNi2
_chemical_formula_sum   'Cu1 Si1 Ni2'
_cell_volume   45.66
_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
  Cu  Cu0  1  0.0  0.0  0.57  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.92  1.0
  Ni  Ni2  1  0.0  0.0  0.22  1.0

data_CuSiNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   2.61
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   101.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuSiNi2
_chemical_formula_sum   'Cu2 Si2 Ni4'
_cell_volume   91.32
_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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.0  0.0  0.43  1.0
  Ni  Ni2  2  0.0  0.0  0.08  1.0
  Ni  Ni3  2  0.0  0.0  0.78  1.0

Cu Si Ni Ni
Ni2CuSi crystallizes in the monoclinic Cm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Cu(1) and one Si(1) atom. The Ni(1)-Cu(1) bond length is 2.77 Å. The Ni(1)-Si(1) bond length is 0.61 Å. In the second Ni site, Ni(2) is bonded in a distorted single-bond geometry to one Cu(1) and one Si(1) atom. The Ni(2)-Cu(1) bond length is 2.77 Å. The Ni(2)-Si(1) bond length is 1.71 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Ni(1); one Ni(2); and six Cu(1,1) atoms to form a mixture of corner and edge-sharing CuCu6Ni2 hexagonal bipyramids. All Cu(1)-Cu(1,1) bond lengths are 2.61 Å. In the second Cu site, Cu(1) is bonded to one Ni(1); one Ni(2); and six Cu(1,1) atoms to form a mixture of corner and edge-sharing CuCu6Ni2 hexagonal bipyramids. The Cu(1)-Ni(1) bond length is 2.77 Å. The Cu(1)-Ni(2) bond length is 2.77 Å. Both Cu(1)-Cu(1) bond lengths are 2.61 Å. Si(1) is bonded in a distorted single-bond geometry to one Ni(1) and one Ni(2) atom.