data_TaV2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   144.6
_cell_angle_beta   128.39
_cell_angle_gamma   64.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Cr
_chemical_formula_sum   'Ta1 V2 Cr1'
_cell_volume   57.09
_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  Ta1  1  0.53  0.0  0.06  1.0
  V  V2  1  0.0  0.0  0.31  1.0
  V  V3  1  0.0  0.19  0.22  1.0
  Cr  Cr0  1  0.0  0.0  0.45  1.0

data_TaV2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.38
_cell_length_c   5.03
_cell_angle_alpha   115.81
_cell_angle_beta   107.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Cr
_chemical_formula_sum   'Ta1 V2 Cr1'
_cell_volume   57.09
_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  0.0  0.06  0.54  1.0
  V  V1  1  0.0  0.31  0.31  1.0
  V  V2  1  0.81  0.03  0.03  1.0
  Cr  Cr3  1  0.0  0.45  0.45  1.0

Ta V V Cr
TaV2Cr crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 6-coordinate geometry to one V(1), three equivalent V(2), and two equivalent Cr(1) atoms. The Ta(1)-V(1) bond length is 1.87 Å. There are a spread of Ta(1)-V(2) bond distances ranging from 2.36-2.99 Å. There is one shorter (1.92 Å) and one longer (2.52 Å) Ta(1)-Cr(1) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted single-bond geometry to one Ta(1), one V(2), and one Cr(1) atom. The V(1)-V(2) bond length is 1.34 Å. The V(1)-Cr(1) bond length is 0.73 Å. In the second V site, V(2) is bonded in a distorted single-bond geometry to three equivalent Ta(1) and one V(1) atom. Cr(1) is bonded in a single-bond geometry to two equivalent Ta(1) and one V(1) atom.