data_GaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   6.13
_cell_angle_alpha   107.71
_cell_angle_beta   107.71
_cell_angle_gamma   32.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi2
_chemical_formula_sum   'Ga2 Ni4'
_cell_volume   70.47
_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
  Ga  Ga0  1  0.31  0.0  0.55  1.0
  Ga  Ga1  1  0.87  0.0  0.27  1.0
  Ni  Ni2  1  0.38  0.0  0.73  1.0
  Ni  Ni3  1  0.8  0.0  0.08  1.0
  Ni  Ni4  1  0.3  0.0  0.11  1.0
  Ni  Ni5  1  0.88  0.0  0.7  1.0

data_GaNi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.66
_cell_length_b   4.75
_cell_length_c   6.13
_cell_angle_alpha   107.71
_cell_angle_beta   90.0
_cell_angle_gamma   106.24
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GaNi2
_chemical_formula_sum   'Ga2 Ni4'
_cell_volume   70.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ga  Ga0  2  0.0  0.28  0.36  1.0
  Ni  Ni1  2  0.0  0.21  0.17  1.0
  Ni  Ni2  2  0.0  0.29  0.79  1.0

Ga Ga Ni Ni Ni Ni
Ga Ga Ni Ni Ni Ni 0 2 o o o 0 4 o o o 0 5 o o o 0 5 - o o 1 3 o o o 1 4 + o o 1 4 o o o 1 5 o o o 2 4 o o + 2 5 o o o 2 5 - o o 2 5 o - o 3 4 o + o 3 4 + o o 3 4 o o o 3 5 o o - 4 5 - o - 4 4 + - o 5 5 + - o 
NiNiGa crystallizes in the triclinic P-1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to three equivalent Ni(2) and one Ga(1) atom. There are a spread of Ni(1)-Ni(2) bond distances ranging from 2.33-2.48 Å. The Ni(1)-Ga(1) bond length is 1.07 Å. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), and three equivalent Ga(1) atoms. There are two shorter (2.66 Å) and one longer (2.71 Å) Ni(2)-Ni(2) bond length. There are a spread of Ni(2)-Ga(1) bond distances ranging from 2.49-2.65 Å. Ga(1) is bonded in a single-bond geometry to one Ni(1) and three equivalent Ni(2) atoms.