data_TaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   22.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaC2
_chemical_formula_sum   'Ta8 C16'
_cell_volume   238.39
_cell_formula_units_Z   8
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  Ta16  1  0.0  0.0  0.93  1.0
  Ta  Ta17  1  0.0  0.0  0.06  1.0
  Ta  Ta18  1  0.0  0.0  0.43  1.0
  Ta  Ta19  1  0.0  0.0  0.56  1.0
  Ta  Ta20  1  0.0  1.0  0.32  1.0
  Ta  Ta21  1  0.73  1.0  0.68  1.0
  Ta  Ta22  1  0.73  1.0  0.81  1.0
  Ta  Ta23  1  0.0  1.0  0.18  1.0
  C  C0  1  0.0  1.0  0.35  1.0
  C  C1  1  0.73  1.0  0.64  1.0
  C  C2  1  0.73  1.0  0.85  1.0
  C  C3  1  0.0  1.0  0.14  1.0
  C  C4  1  0.86  0.5  0.5  1.0
  C  C5  1  0.73  0.0  0.5  1.0
  C  C6  1  0.14  0.5  0.5  1.0
  C  C7  1  0.86  0.5  0.0  1.0
  C  C8  1  0.73  0.0  0.0  1.0
  C  C9  1  0.14  0.5  0.0  1.0
  C  C10  1  0.07  0.53  0.25  1.0
  C  C11  1  0.0  0.93  0.25  1.0
  C  C12  1  0.93  0.53  0.25  1.0
  C  C13  1  0.66  0.46  0.75  1.0
  C  C14  1  0.73  0.07  0.75  1.0
  C  C15  1  0.8  0.46  0.75  1.0

data_TaC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   22.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaC2
_chemical_formula_sum   'Ta8 C16'
_cell_volume   238.39
_cell_formula_units_Z   8
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  0.0  0.06  1.0
  Ta  Ta1  1  0.0  0.0  0.43  1.0
  Ta  Ta2  1  0.0  0.0  0.56  1.0
  Ta  Ta3  1  0.0  0.0  0.93  1.0
  Ta  Ta4  1  0.0  1.0  0.18  1.0
  Ta  Ta5  1  0.0  1.0  0.32  1.0
  Ta  Ta6  1  0.73  1.0  0.68  1.0
  Ta  Ta7  1  0.73  1.0  0.81  1.0
  C  C8  1  0.0  0.93  0.25  1.0
  C  C9  1  0.0  1.0  0.14  1.0
  C  C10  1  0.0  1.0  0.35  1.0
  C  C11  1  0.07  0.53  0.25  1.0
  C  C12  1  0.14  0.5  -0.0  1.0
  C  C13  1  0.14  0.5  0.5  1.0
  C  C14  1  0.66  0.46  0.75  1.0
  C  C15  1  0.73  0.0  -0.0  1.0
  C  C16  1  0.73  0.0  0.5  1.0
  C  C17  1  0.73  0.07  0.75  1.0
  C  C18  1  0.73  1.0  0.64  1.0
  C  C19  1  0.73  1.0  0.85  1.0
  C  C20  1  0.8  0.46  0.75  1.0
  C  C21  1  0.86  0.5  -0.0  1.0
  C  C22  1  0.86  0.5  0.5  1.0
  C  C23  1  0.93  0.53  0.25  1.0

Ta Ta Ta Ta Ta Ta Ta Ta C C C C C C C C C C C C C C C C
Ta Ta Ta Ta Ta Ta Ta Ta C C C C C C C C C C C C C C C C 0 10 - - o 0 17 o o + 0 16 - o + 0 15 - - + 1 17 o o o 1 16 - o o 1 15 - - o 1 11 o - o 2 14 o o o 2 13 - o o 2 8 o - o 2 12 - - o 3 9 - - o 3 14 o o o 3 13 - o o 3 12 - - o 4 8 o o o 5 9 o o o 6 10 o o o 6 22 o + o 7 11 o o o 7 19 o o o 12 14 + o o 12 13 o o o 13 14 o - o 13 14 + o o 15 17 + o o 15 16 o o o 16 17 o - o 16 17 + o o 18 20 - o o 18 19 o o o 19 20 - o o 21 23 o o o 21 22 o o o 22 23 o o o 