data_LiLaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   124.12
_cell_angle_beta   121.97
_cell_angle_gamma   84.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaNi2
_chemical_formula_sum   'Li1 La1 Ni2'
_cell_volume   71.99
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  La  La0  1  0.0  0.0  0.51  1.0
  Ni  Ni2  1  0.0  0.3  0.81  1.0
  Ni  Ni3  1  0.23  0.0  0.7  1.0

data_LiLaNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.61
_cell_length_c   4.75
_cell_angle_alpha   119.02
_cell_angle_beta   117.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaNi2
_chemical_formula_sum   'Li1 La1 Ni2'
_cell_volume   71.99
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.49  0.49  0.49  1.0
  Ni  Ni2  1  0.19  0.49  0.49  1.0
  Ni  Ni3  1  0.53  0.3  0.53  1.0

Li La Ni Ni
LiLaNi2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one La(1), two equivalent Ni(1), and two equivalent Ni(2) atoms. The Li(1)-La(1) bond length is 2.41 Å. There is one shorter (2.08 Å) and one longer (2.90 Å) Li(1)-Ni(1) bond length. There is one shorter (2.21 Å) and one longer (3.16 Å) Li(1)-Ni(2) bond length. La(1) is bonded in a distorted L-shaped geometry to one Li(1), one Ni(1), and one Ni(2) atom. The La(1)-Ni(1) bond length is 1.35 Å. The La(1)-Ni(2) bond length is 0.97 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 1-coordinate geometry to two equivalent Li(1) and one La(1) atom. In the second Ni site, Ni(2) is bonded in a single-bond geometry to two equivalent Li(1) and one La(1) atom.