# generated using pymatgen
data_Ti6C4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28138738
_cell_length_b   5.28138846
_cell_length_c   5.28453380
_cell_angle_alpha   99.60852653
_cell_angle_beta   99.60853152
_cell_angle_gamma   119.70912420
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6C4O
_chemical_formula_sum   'Ti6 C4 O1'
_cell_volume   120.74777973
_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  Ti0  1  0.43561572  0.08007725  0.25059408  1.0
  Ti  Ti1  1  0.08007725  0.43561572  0.25059408  1.0
  Ti  Ti2  1  0.73808134  0.73808134  0.26298199  1.0
  Ti  Ti3  1  0.26191966  0.26191966  0.73701901  1.0
  Ti  Ti4  1  0.91992375  0.56438528  0.74940492  1.0
  Ti  Ti5  1  0.56438528  0.91992375  0.74940492  1.0
  C  C6  1  0.66622864  0.33377036  0.00000000  1.0
  C  C7  1  0.33377036  0.66622864  1.00000000  1.0
  C  C8  1  0.83398299  0.16601801  0.50000000  1.0
  C  C9  1  0.16601801  0.83398299  0.50000000  1.0
  O  O10  1  0.50000000  0.50000000  0.50000000  1.0