data_La2NbNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbNi
_chemical_formula_sum   'La2 Nb1 Ni1'
_cell_volume   96.76
_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  0.7  0.7  0.84  1.0
  La  La1  1  0.7  0.7  0.51  1.0
  Nb  Nb2  1  0.0  0.0  0.18  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_La2NbNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2NbNi
_chemical_formula_sum   'La4 Nb2 Ni2'
_cell_volume   193.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.2  0.5  0.51  1.0
  La  La1  2  0.2  0.5  0.84  1.0
  Nb  Nb2  2  0.0  0.0  0.18  1.0
  Ni  Ni3  2  0.0  0.0  0.0  1.0

La La Nb Ni
La2NbNi crystallizes in the monoclinic Cm 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 La(2) and one Ni(1) atom. The La(1)-La(2) bond length is 2.75 Å. The La(1)-Ni(1) bond length is 1.94 Å. In the second La site, La(2) is bonded in a 8-coordinate geometry to one La(1), four equivalent La(2), and three equivalent Nb(1) atoms. All La(2)-La(2) bond lengths are 3.40 Å. There is one shorter (3.15 Å) and two longer (3.82 Å) La(2)-Nb(1) bond lengths. Nb(1) is bonded in a distorted single-bond geometry to three equivalent La(2) and one Ni(1) atom. The Nb(1)-Ni(1) bond length is 1.49 Å. Ni(1) is bonded in a 2-coordinate geometry to one La(1) and one Nb(1) atom.