data_TaVC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.16
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVC2
_chemical_formula_sum   'Ta1 V1 C2'
_cell_volume   43.24
_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  0.58  0.27  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  C  C0  1  0.51  0.0  0.5  1.0
  C  C1  1  0.51  0.0  0.04  1.0

data_TaVC2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.16
_cell_length_b   3.01
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaVC2
_chemical_formula_sum   'Ta1 V1 C2'
_cell_volume   43.24
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.58  0.0  0.27  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.0  0.5  0.04  1.0
  C  C3  1  0.0  0.5  0.5  1.0

Ta V C C
TaVC2 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 10-coordinate geometry to two equivalent V(1), four equivalent C(1), and four equivalent C(2) atoms. There is one shorter (1.81 Å) and one longer (2.21 Å) Ta(1)-V(1) bond length. There are a spread of Ta(1)-C(1) bond distances ranging from 2.26-2.61 Å. There are a spread of Ta(1)-C(2) bond distances ranging from 2.26-2.61 Å. V(1) is bonded in a 2-coordinate geometry to two equivalent Ta(1), two equivalent C(1), and two equivalent C(2) atoms. There is one shorter (2.70 Å) and one longer (2.72 Å) V(1)-C(1) bond length. There is one shorter (1.50 Å) and one longer (1.53 Å) V(1)-C(2) bond length. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 7-coordinate geometry to four equivalent Ta(1), two equivalent V(1), and one C(2) atom. The C(1)-C(2) bond length is 2.11 Å. In the second C site, C(2) is bonded in a distorted linear geometry to four equivalent Ta(1), two equivalent V(1), and one C(1) atom.