data_NbCoNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoNi2
_chemical_formula_sum   'Nb1 Co1 Ni2'
_cell_volume   50.8
_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
  Nb  Nb1  1  0.0  0.0  0.55  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.58  0.58  0.88  1.0
  Ni  Ni3  1  0.58  0.58  0.22  1.0

data_NbCoNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCoNi2
_chemical_formula_sum   'Nb2 Co2 Ni4'
_cell_volume   101.61
_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
  Nb  Nb0  2  0.0  0.0  0.55  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Ni  Ni2  2  0.08  0.5  0.22  1.0
  Ni  Ni3  2  0.08  0.5  0.88  1.0

Nb Co Ni Ni
NbCoNi2 is gamma CuTi-derived structured and crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a 10-coordinate geometry to two equivalent Co(1), four equivalent Ni(1), and four equivalent Ni(2) atoms. There is one shorter (2.30 Å) and one longer (2.80 Å) Nb(1)-Co(1) bond length. There are a spread of Nb(1)-Ni(1) bond distances ranging from 2.52-3.08 Å. There are a spread of Nb(1)-Ni(2) bond distances ranging from 2.52-3.08 Å. Co(1) is bonded in a 10-coordinate geometry to two equivalent Nb(1), four equivalent Ni(1), and four equivalent Ni(2) atoms. There are a spread of Co(1)-Ni(1) bond distances ranging from 1.98-2.66 Å. There are a spread of Co(1)-Ni(2) bond distances ranging from 2.19-2.81 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to four equivalent Nb(1), four equivalent Co(1), and one Ni(2) atom. The Ni(1)-Ni(2) bond length is 1.74 Å. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to four equivalent Nb(1), four equivalent Co(1), and one Ni(1) atom.