data_TaV2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2C
_chemical_formula_sum   'Ta1 V2 C1'
_cell_volume   50.13
_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  0.0  0.0  0.52  1.0
  V  V2  1  0.33  0.33  0.86  1.0
  V  V3  1  0.33  0.33  0.18  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_TaV2C
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaV2C
_chemical_formula_sum   'Ta2 V4 C2'
_cell_volume   100.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.52  1.0
  V  V1  2  0.33  0.0  0.18  1.0
  V  V2  2  0.33  0.0  0.86  1.0
  C  C3  2  0.0  0.0  0.0  1.0

Ta V V C
Ta V V C 0 2 - o o 0 2 o - o 0 2 o o o 0 1 - o o 0 1 o - o 0 1 o o o 0 0 + o o 0 0 o + o 1 3 o o + 2 3 o o o 
TaV2C crystallizes in the monoclinic Cm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 10-coordinate geometry to four equivalent Ta(1), three equivalent V(1), and three equivalent V(2) atoms. All Ta(1)-Ta(1) bond lengths are 2.67 Å. There is one shorter (2.70 Å) and two longer (3.11 Å) Ta(1)-V(1) bond lengths. There is one shorter (2.70 Å) and two longer (3.11 Å) Ta(1)-V(2) bond lengths. In the second Ta site, Ta(1) is bonded in a 10-coordinate geometry to four equivalent Ta(1), three equivalent V(1), and three equivalent V(2) atoms. There is one shorter (2.70 Å) and two longer (3.11 Å) Ta(1)-V(1) bond lengths. There is one shorter (2.70 Å) and two longer (3.11 Å) Ta(1)-V(2) bond lengths. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted single-bond geometry to three Ta(1,1) and one C(1) atom. The V(1)-C(1) bond length is 1.61 Å. In the second V site, V(2) is bonded in a distorted single-bond geometry to three Ta(1,1) and one C(1) atom. The V(2)-C(1) bond length is 1.79 Å. C(1) is bonded in a 2-coordinate geometry to one V(1) and one V(2) atom.