data_LaGa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   122.33
_cell_angle_beta   122.33
_cell_angle_gamma   86.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Ni
_chemical_formula_sum   'La1 Ga2 Ni1'
_cell_volume   77.66
_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
  La  La2  1  0.0  0.34  0.77  1.0
  Ga  Ga0  1  0.34  0.0  0.77  1.0
  Ga  Ga1  1  0.0  0.0  0.55  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_LaGa2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.85
_cell_angle_alpha   118.83
_cell_angle_beta   118.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Ni
_chemical_formula_sum   'La1 Ga2 Ni1'
_cell_volume   77.66
_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
  La  La0  1  0.43  0.77  0.43  1.0
  Ga  Ga1  1  0.55  0.55  0.55  1.0
  Ga  Ga2  1  0.77  0.43  0.43  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

La Ga Ga Ni
La Ga Ga Ni 0 2 o o o 0 3 o o + 0 3 o + + 1 2 o o o 1 3 + o + 1 3 o o + 2 3 o o + 2 3 o o o 
LaNiGa2 crystallizes in the triclinic P1 space group. La(1) is bonded in a distorted single-bond geometry to two equivalent Ni(1) and one Ga(2) atom. There is one shorter (2.42 Å) and one longer (2.78 Å) La(1)-Ni(1) bond length. The La(1)-Ga(2) bond length is 1.41 Å. Ni(1) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. There is one shorter (2.42 Å) and one longer (2.78 Å) Ni(1)-Ga(1) bond length. There is one shorter (2.20 Å) and one longer (2.66 Å) Ni(1)-Ga(2) bond length. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted single-bond geometry to two equivalent Ni(1) and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 1.41 Å. In the second Ga site, Ga(2) is bonded in a distorted single-bond geometry to one La(1), two equivalent Ni(1), and one Ga(1) atom.