data_LaRe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   3.13
_cell_angle_alpha   104.37
_cell_angle_beta   104.37
_cell_angle_gamma   126.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2Ni
_chemical_formula_sum   'La1 Re2 Ni1'
_cell_volume   71.68
_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  0.63  0.0  0.0  1.0
  Re  Re2  1  0.45  0.38  0.3  1.0
  Re  Re3  1  0.45  0.62  0.3  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_LaRe2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.38
_cell_length_c   5.86
_cell_angle_alpha   111.09
_cell_angle_beta   104.37
_cell_angle_gamma   92.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2Ni
_chemical_formula_sum   'La1 Re2 Ni1'
_cell_volume   71.68
_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  0.63  1.0
  Re  Re1  1  0.68  0.38  0.82  1.0
  Re  Re2  1  0.92  0.62  0.07  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

La Re Re Ni
LaRe2Ni crystallizes in the triclinic P1 space group. La(1) is bonded in a 4-coordinate geometry to one Re(1), two equivalent Re(2), and one Ni(1) atom. The La(1)-Re(1) bond length is 3.03 Å. There is one shorter (2.11 Å) and one longer (2.38 Å) La(1)-Re(2) bond length. The La(1)-Ni(1) bond length is 2.20 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to one La(1), one Re(2), and one Ni(1) atom. The Re(1)-Re(2) bond length is 1.43 Å. The Re(1)-Ni(1) bond length is 1.85 Å. In the second Re site, Re(2) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Re(1) atom. Ni(1) is bonded in a 2-coordinate geometry to one La(1) and one Re(1) atom.