# generated using pymatgen
data_Ti4CCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32695980
_cell_length_b   11.25319545
_cell_length_c   11.60765202
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4CCl6
_chemical_formula_sum   'Ti8 C2 Cl12'
_cell_volume   434.57805933
_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
  Ti  Ti0  1  0.00000000  0.09564022  0.07659125  1.0
  Ti  Ti1  1  0.00000000  0.90435978  0.92340875  1.0
  Ti  Ti2  1  0.00000000  0.59564022  0.42340875  1.0
  Ti  Ti3  1  0.00000000  0.40435978  0.57659125  1.0
  Ti  Ti4  1  0.50000000  0.12053909  0.86667512  1.0
  Ti  Ti5  1  0.50000000  0.87946091  0.13332488  1.0
  Ti  Ti6  1  0.50000000  0.62053909  0.63332488  1.0
  Ti  Ti7  1  0.50000000  0.37946091  0.36667512  1.0
  C  C8  1  0.50000000  0.00000000  0.00000000  1.0
  C  C9  1  0.50000000  0.50000000  0.50000000  1.0
  Cl  Cl10  1  0.50000000  0.27228754  0.68413321  1.0
  Cl  Cl11  1  0.50000000  0.72771246  0.31586679  1.0
  Cl  Cl12  1  0.50000000  0.77228754  0.81586679  1.0
  Cl  Cl13  1  0.50000000  0.22771246  0.18413321  1.0
  Cl  Cl14  1  0.00000000  0.26128319  0.93968369  1.0
  Cl  Cl15  1  0.00000000  0.73871681  0.06031631  1.0
  Cl  Cl16  1  0.00000000  0.48044083  0.24557911  1.0
  Cl  Cl17  1  0.00000000  0.51955917  0.75442089  1.0
  Cl  Cl18  1  0.00000000  0.98044083  0.25442089  1.0
  Cl  Cl19  1  0.00000000  0.01955917  0.74557911  1.0
  Cl  Cl20  1  0.00000000  0.23871681  0.43968369  1.0
  Cl  Cl21  1  0.00000000  0.76128319  0.56031631  1.0