data_Ti2VCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VCr
_chemical_formula_sum   'Ti2 V1 Cr1'
_cell_volume   58.41
_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  Ti1  1  0.22  0.74  0.33  1.0
  Ti  Ti2  1  0.22  0.26  0.33  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.43  0.0  0.0  1.0

data_Ti2VCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.87
_cell_length_c   5.13
_cell_angle_alpha   118.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VCr
_chemical_formula_sum   'Ti2 V1 Cr1'
_cell_volume   58.41
_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  0.33  0.26  0.48  1.0
  Ti  Ti1  1  0.33  0.74  0.96  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.0  0.0  0.43  1.0

Ti Ti V Cr
Ti Ti V Cr 0 3 o + o 1 2 o o o 
Ti2CrV crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one chromium;titanium molecule and one titanium;vanadium molecule.