data_LaGaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   7.65
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   114.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGaNi
_chemical_formula_sum   'La4 Ga4 Ni4'
_cell_volume   250.43
_cell_formula_units_Z   4
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  0.83  0.75  0.91  1.0
  La  La1  1  0.45  0.58  0.63  1.0
  La  La2  1  0.69  0.08  0.46  1.0
  La  La3  1  0.31  0.91  0.18  1.0
  Ga  Ga4  1  0.11  0.88  0.48  1.0
  Ga  Ga5  1  0.89  0.71  0.16  1.0
  Ga  Ga6  1  0.03  0.77  0.61  1.0
  Ga  Ga7  1  0.25  0.95  0.94  1.0
  Ni  Ni8  1  0.35  0.35  0.93  1.0
  Ni  Ni9  1  0.21  0.13  0.48  1.0
  Ni  Ni10  1  0.93  0.52  0.61  1.0
  Ni  Ni11  1  0.79  0.31  0.16  1.0

data_LaGaNi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.58
_cell_length_b   6.42
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.14
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaGaNi
_chemical_formula_sum   'La4 Ga4 Ni4'
_cell_volume   250.43
_cell_formula_units_Z   4
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
  La  La0  2  0.13  0.24  0.58  1.0
  La  La1  2  0.41  0.62  0.75  1.0
  Ga  Ga2  2  0.11  0.82  0.38  1.0
  Ga  Ga3  2  0.44  0.04  0.55  1.0
  Ni  Ni4  2  0.11  0.72  0.98  1.0
  Ni  Ni5  2  0.43  0.14  0.81  1.0

La La La La Ga Ga Ga Ga Ni Ni Ni Ni
LaNiGa crystallizes in the triclinic P-1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted single-bond geometry to one Ni(2), one Ga(1), and one Ga(2) atom. The La(1)-Ni(2) bond length is 2.69 Å. The La(1)-Ga(1) bond length is 2.54 Å. The La(1)-Ga(2) bond length is 1.28 Å. In the second La site, La(2) is bonded in a 1-coordinate geometry to one Ni(1) and three equivalent Ni(2) atoms. The La(2)-Ni(1) bond length is 2.69 Å. There are a spread of La(2)-Ni(2) bond distances ranging from 3.16-3.69 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one La(2) and two equivalent Ni(2) atoms. There is one shorter (2.83 Å) and one longer (2.85 Å) Ni(1)-Ni(2) bond length. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to one La(1), three equivalent La(2), two equivalent Ni(1), one Ga(1), and one Ga(2) atom. The Ni(2)-Ga(1) bond length is 2.04 Å. The Ni(2)-Ga(2) bond length is 2.84 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 3-coordinate geometry to one La(1), one Ni(2), and one Ga(1) atom. The Ga(1)-Ga(1) bond length is 1.30 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one La(1) and one Ni(2) atom.