data_TaVC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   2.92
_cell_angle_alpha   108.2
_cell_angle_beta   108.2
_cell_angle_gamma   91.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVC2
_chemical_formula_sum   'Ta1 V1 C2'
_cell_volume   44.54
_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  0.88  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  C  C0  1  0.79  0.48  0.31  1.0
  C  C1  1  0.79  0.52  0.31  1.0

data_TaVC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.13
_cell_length_c   4.13
_cell_angle_alpha   91.46
_cell_angle_beta   108.2
_cell_angle_gamma   108.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVC2
_chemical_formula_sum   'Ta1 V1 C2'
_cell_volume   44.54
_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  0.88  0.0  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.31  0.79  0.48  1.0
  C  C3  1  0.31  0.79  0.52  1.0

Ta V C C