data_LaHfNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfNi2
_chemical_formula_sum   'La1 Hf1 Ni2'
_cell_volume   73.93
_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  La1  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.0  0.0  0.61  1.0
  Ni  Ni2  1  0.21  0.0  0.2  1.0
  Ni  Ni3  1  0.21  0.0  0.02  1.0

data_LaHfNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfNi2
_chemical_formula_sum   'La1 Hf1 Ni2'
_cell_volume   73.93
_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  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.0  0.61  1.0
  Ni  Ni2  1  0.21  0.0  0.02  1.0
  Ni  Ni3  1  0.21  0.0  0.2  1.0

La Hf Ni Ni
LaHfNi2 crystallizes in the triclinic P1 space group. La(1) is bonded in a single-bond geometry to one Hf(1), one Ni(1), and one Ni(2) atom. The La(1)-Hf(1) bond length is 2.83 Å. The La(1)-Ni(1) bond length is 1.58 Å. The La(1)-Ni(2) bond length is 0.69 Å. Hf(1) is bonded in a 7-coordinate geometry to one La(1), four equivalent Hf(1), one Ni(1), and one Ni(2) atom. All Hf(1)-Hf(1) bond lengths are 3.20 Å. The Hf(1)-Ni(1) bond length is 3.03 Å. The Hf(1)-Ni(2) bond length is 3.03 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one La(1), one Hf(1), and one Ni(2) atom. The Ni(1)-Ni(2) bond length is 1.31 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one La(1), one Hf(1), and one Ni(1) atom.