data_Cd2GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   157.2
_cell_angle_beta   147.33
_cell_angle_gamma   40.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaNi
_chemical_formula_sum   'Cd2 Ga1 Ni1'
_cell_volume   75.08
_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
  Cd  Cd0  1  0.41  0.0  0.38  1.0
  Cd  Cd1  1  0.0  0.0  0.29  1.0
  Ga  Ga2  1  0.0  0.0  0.68  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Cd2GaNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.0
_cell_length_c   7.11
_cell_angle_alpha   106.34
_cell_angle_beta   101.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaNi
_chemical_formula_sum   'Cd2 Ga1 Ni1'
_cell_volume   75.08
_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
  Cd  Cd0  1  0.0  0.38  0.98  1.0
  Cd  Cd1  1  1.0  0.29  0.29  1.0
  Ga  Ga2  1  0.0  0.68  0.68  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Cd Cd Ga Ni
Cd Cd Ga Ni 0 3 o o o 0 1 o o o 0 2 + o o 0 2 o o - 1 3 o o o 1 2 o o o 2 2 o + + 2 3 o o + 
NiCd2Ga crystallizes in the triclinic P1 space group. Ni(1) is bonded in a 4-coordinate geometry to one Cd(2), two equivalent Cd(1), and one Ga(1) atom. The Ni(1)-Cd(2) bond length is 2.08 Å. There is one shorter (1.59 Å) and one longer (2.42 Å) Ni(1)-Cd(1) bond length. The Ni(1)-Ga(1) bond length is 2.30 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted single-bond geometry to two equivalent Ni(1) and one Ga(1) atom. The Cd(1)-Ga(1) bond length is 2.72 Å. In the second Cd site, Cd(2) is bonded in a 1-coordinate geometry to one Ni(1) and one Ga(1) atom. The Cd(2)-Ga(1) bond length is 2.73 Å. Ga(1) is bonded in a 5-coordinate geometry to one Ni(1), one Cd(1), one Cd(2), and two equivalent Ga(1) atoms. Both Ga(1)-Ga(1) bond lengths are 2.81 Å.