data_TaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   4.06
_cell_angle_alpha   49.95
_cell_angle_beta   49.95
_cell_angle_gamma   49.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaC2
_chemical_formula_sum   'Ta1 C2'
_cell_volume   36.02
_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  0.0  0.03  1.0
  C  C0  1  0.0  0.0  0.68  1.0
  C  C1  1  0.0  0.0  0.37  1.0

data_TaC2
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.93
_cell_length_b   3.43
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   119.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   TaC2
_chemical_formula_sum   'Ta2 C4'
_cell_volume   72.05
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  0.0  1.0
  C  C1  4  0.0  0.0  0.35  1.0

Ta C C
Ta C C 0 1 o o - 0 2 o o o 1 2 o o o 