data_CaGa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   123.35
_cell_angle_beta   123.35
_cell_angle_gamma   84.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2Ni
_chemical_formula_sum   'Ca1 Ga2 Ni1'
_cell_volume   70.77
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.25  0.0  0.75  1.0
  Ga  Ga2  1  0.0  0.0  0.51  1.0
  Ni  Ni3  1  0.0  0.25  0.75  1.0

data_CaGa2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.73
_cell_angle_alpha   118.33
_cell_angle_beta   118.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2Ni
_chemical_formula_sum   'Ca1 Ga2 Ni1'
_cell_volume   70.77
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.25  0.0  0.49  1.0
  Ga  Ga2  1  0.49  0.0  0.49  1.0
  Ni  Ni3  1  0.49  0.25  0.49  1.0

Ca Ga Ga Ni
CaNiGa2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 5-coordinate geometry to two equivalent Ni(1), one Ga(2), and two equivalent Ga(1) atoms. There is one shorter (2.05 Å) and one longer (3.09 Å) Ca(1)-Ni(1) bond length. The Ca(1)-Ga(2) bond length is 2.41 Å. There is one shorter (2.05 Å) and one longer (3.09 Å) Ca(1)-Ga(1) bond length. Ni(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ga(1), and one Ga(2) atom. The Ni(1)-Ga(1) bond length is 1.56 Å. The Ni(1)-Ga(2) bond length is 1.10 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ni(1), and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 1.10 Å. In the second Ga site, Ga(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ni(1), and one Ga(1) atom.