data_TaV2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.27
_cell_length_c   3.29
_cell_angle_alpha   72.69
_cell_angle_beta   71.11
_cell_angle_gamma   36.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2C
_chemical_formula_sum   'Ta1 V2 C1'
_cell_volume   51.41
_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
  Ta  Ta1  1  0.27  0.38  0.76  1.0
  V  V2  1  0.0  0.19  0.38  1.0
  V  V3  1  0.27  0.19  0.38  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_TaV2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   5.27
_cell_angle_alpha   107.31
_cell_angle_beta   107.31
_cell_angle_gamma   92.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2C
_chemical_formula_sum   'Ta1 V2 C1'
_cell_volume   51.41
_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
  Ta  Ta0  1  0.27  0.24  0.65  1.0
  V  V1  1  0.0  0.62  0.19  1.0
  V  V2  1  0.27  0.62  0.46  1.0
  C  C3  1  0.0  0.0  0.0  1.0

Ta V V C