data_TiC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   26.48
_cell_angle_beta   26.48
_cell_angle_gamma   26.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiC3
_chemical_formula_sum   'Ti1 C3'
_cell_volume   31.73
_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
  Ti  Ti3  1  0.0  0.0  0.18  1.0
  C  C0  1  0.0  0.0  0.49  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.0  0.0  0.88  1.0

data_TiC3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   2.59
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   105.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiC3
_chemical_formula_sum   'Ti2 C6'
_cell_volume   63.46
_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+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
  Ti  Ti0  2  0.0  0.0  0.82  1.0
  C  C1  2  0.0  0.0  0.0  1.0
  C  C2  2  0.0  0.0  0.12  1.0
  C  C3  2  0.0  0.0  0.51  1.0

Ti C C C