data_TiMn2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   142.81
_cell_angle_beta   130.23
_cell_angle_gamma   63.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn2Ni
_chemical_formula_sum   'Ti1 Mn2 Ni1'
_cell_volume   51.47
_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
  Mn  Mn0  1  0.0  0.03  0.01  1.0
  Mn  Mn1  1  0.54  0.0  0.09  1.0
  Ni  Ni2  1  0.0  0.0  0.1  1.0

data_TiMn2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.07
_cell_length_c   4.83
_cell_angle_alpha   114.88
_cell_angle_beta   108.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn2Ni
_chemical_formula_sum   'Ti1 Mn2 Ni1'
_cell_volume   51.47
_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  Ti0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.09  0.55  1.0
  Mn  Mn2  1  0.97  0.98  0.98  1.0
  Ni  Ni3  1  0.0  0.1  0.1  1.0

Ti Mn Mn Ni
TiMn2Ni crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiMn2Ni cluster. Ti(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one Ni(1) atom. The Ti(1)-Mn(1) bond length is 0.12 Å. The Ti(1)-Ni(1) bond length is 0.51 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Ti(1) atom. In the second Mn site, Mn(2) is bonded in a single-bond geometry to one Ni(1) atom. The Mn(2)-Ni(1) bond length is 2.18 Å. Ni(1) is bonded in a single-bond geometry to one Ti(1) and one Mn(2) atom.