data_TaTiCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   143.52
_cell_angle_beta   125.98
_cell_angle_gamma   66.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiCr2
_chemical_formula_sum   'Ta1 Ti1 Cr2'
_cell_volume   57.79
_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
  Ta  Ta2  1  0.0  0.0  0.14  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.25  0.05  1.0
  Cr  Cr1  1  0.55  0.0  0.08  1.0

data_TaTiCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.5
_cell_length_c   4.96
_cell_angle_alpha   117.01
_cell_angle_beta   108.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiCr2
_chemical_formula_sum   'Ta1 Ti1 Cr2'
_cell_volume   57.79
_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
  Ta  Ta0  1  0.86  0.86  0.86  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.47  0.92  0.47  1.0
  Cr  Cr3  1  0.95  0.2  0.2  1.0

Ta Ti Cr Cr
TiTaCr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiTaCr2 cluster. Ti(1) is bonded in a distorted bent 150 degrees geometry to one Ta(1) and one Cr(1) atom. The Ti(1)-Ta(1) bond length is 0.67 Å. The Ti(1)-Cr(1) bond length is 1.05 Å. Ta(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Cr(2) atom. The Ta(1)-Cr(2) bond length is 2.08 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a single-bond geometry to one Ti(1) atom. In the second Cr site, Cr(2) is bonded in a distorted single-bond geometry to one Ta(1) atom.