data_TaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   4.3
_cell_angle_alpha   116.03
_cell_angle_beta   116.03
_cell_angle_gamma   97.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaC2
_chemical_formula_sum   'Ta2 C4'
_cell_volume   59.15
_cell_formula_units_Z   2
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  Ta4  1  0.0  0.0  0.27  1.0
  Ta  Ta5  1  0.0  0.0  0.42  1.0
  C  C0  1  0.5  0.78  0.0  1.0
  C  C1  1  0.78  0.5  0.85  1.0
  C  C2  1  0.77  0.5  0.0  1.0
  C  C3  1  0.5  0.78  0.85  1.0

data_TaC2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   6.44
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   131.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaC2
_chemical_formula_sum   'Ta4 C8'
_cell_volume   118.3
_cell_formula_units_Z   4
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  0.08  0.5  0.58  1.0
  Ta  Ta1  2  0.23  0.5  0.73  1.0
  C  C2  4  0.14  0.36  0.0  1.0
  C  C3  4  0.29  0.36  0.15  1.0

Ta Ta C C C C
Ta Ta C C C C 0 1 o o o 2 5 o o - 3 4 o o + 