data_TiReNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   3.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiReNi2
_chemical_formula_sum   'Ti1 Re1 Ni2'
_cell_volume   51.9
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.86  0.86  0.0  1.0
  Ni  Ni0  1  0.0  0.86  0.87  1.0
  Ni  Ni1  1  0.86  0.0  0.87  1.0

data_TiReNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   3.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiReNi2
_chemical_formula_sum   'Ti2 Re2 Ni4'
_cell_volume   103.8
_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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.36  0.5  0.0  1.0
  Ni  Ni2  4  0.43  0.43  0.87  1.0

Ti Re Ni Ni
TiReNi2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiReNi2 clusters. Ti(1) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent Ni(1) atoms. The Ti(1)-Re(1) bond length is 0.72 Å. Both Ti(1)-Ni(1) bond lengths are 0.71 Å. Re(1) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Ni(1) atoms. Both Re(1)-Ni(1) bond lengths are 0.71 Å. Ni(1) is bonded in a 3-coordinate geometry to one Ti(1), one Re(1), and one Ni(1) atom. The Ni(1)-Ni(1) bond length is 0.72 Å.