[CIF]
data_TiC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99478348
_cell_length_b   6.99478348
_cell_length_c   6.99478348
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiC2
_chemical_formula_sum   'Ti8 C16'
_cell_volume   241.99580009
_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
  C  C0  1  1.23651471  3.70954412  3.70954412  1
  C  C1  1  3.70954412  1.23651471  3.70954412  1
  C  C2  1  1.23651471  1.23651471  1.23651471  1
  C  C3  1  3.70954412  3.70954412  1.23651471  1
  C  C4  1  7.41908825  7.41908825  6.21354902  1
  C  C5  1  8.62462747  7.41908825  7.41908825  1
  C  C6  1  7.41908825  8.62462747  7.41908824  1
  C  C7  1  7.41908825  6.21354902  7.41908824  1
  C  C8  1  6.21354902  7.41908825  7.41908825  1
  C  C9  1  7.41908825  7.41908825  8.62462747  1
  C  C10  1  4.94605883  4.94605883  6.15159805  1
  C  C11  1  3.74051961  4.94605883  4.94605883  1
  C  C12  1  4.94605883  3.74051961  4.94605883  1
  C  C13  1  4.94605883  6.15159805  4.94605883  1
  C  C14  1  6.15159805  4.94605883  4.94605883  1
  C  C15  1  4.94605883  4.94605883  3.74051961  1
  Ti  Ti16  1  6.39921573  6.39921573  3.49290193  1
  Ti  Ti17  1  3.49290193  3.49290193  3.49290193  1
  Ti  Ti18  1  6.39921573  3.49290193  6.39921573  1
  Ti  Ti19  1  3.49290193  6.39921573  6.39921573  1
  Ti  Ti20  1  5.96593135  5.96593135  8.87224514  1
  Ti  Ti21  1  8.87224514  8.87224514  8.87224514  1
  Ti  Ti22  1  5.96593135  8.87224514  5.96593135  1
  Ti  Ti23  1  8.87224514  5.96593135  5.96593135  1
[/CIF]
