data_LaFeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   142.32
_cell_angle_beta   142.32
_cell_angle_gamma   54.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFeNi
_chemical_formula_sum   'La1 Fe1 Ni1'
_cell_volume   53.24
_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  0.99  1.0
  Fe  Fe0  1  0.0  0.0  0.59  1.0
  Ni  Ni2  1  0.0  0.0  0.74  1.0

data_LaFeNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   117.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaFeNi
_chemical_formula_sum   'La2 Fe2 Ni2'
_cell_volume   106.47
_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  0.0  0.0  0.01  1.0
  Fe  Fe1  2  0.0  0.0  0.41  1.0
  Ni  Ni2  2  0.0  0.0  0.26  1.0

La Fe Ni
LaNiFe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaNiFe clusters. La(1) is bonded in a single-bond geometry to one Ni(1) atom. The La(1)-Ni(1) bond length is 1.28 Å. Fe(1) is bonded in a single-bond geometry to one Ni(1) atom. The Fe(1)-Ni(1) bond length is 0.82 Å. Ni(1) is bonded in a linear geometry to one La(1) and one Fe(1) atom.