# generated using pymatgen
data_Ti8CO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46606451
_cell_length_b   6.46606579
_cell_length_c   6.46606643
_cell_angle_alpha   73.78100268
_cell_angle_beta   73.78100396
_cell_angle_gamma   73.78101116
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti8CO12
_chemical_formula_sum   'Ti8 C1 O12'
_cell_volume   243.24230727
_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  0.93569074  0.68699964  0.12643087  1.0
  Ti  Ti1  1  0.72354052  0.72354052  0.72354052  1.0
  Ti  Ti2  1  0.68699964  0.12643087  0.93569074  1.0
  Ti  Ti3  1  0.87356913  0.06430926  0.31300036  1.0
  Ti  Ti4  1  0.12643087  0.93569074  0.68699964  1.0
  Ti  Ti5  1  0.31300036  0.87356913  0.06430926  1.0
  Ti  Ti6  1  0.27645948  0.27645948  0.27645948  1.0
  Ti  Ti7  1  0.06430926  0.31300036  0.87356913  1.0
  C  C8  1  0.00000000  0.00000000  0.00000000  1.0
  O  O9  1  0.82600411  0.74632168  0.42032447  1.0
  O  O10  1  0.95970209  0.35482724  0.20513373  1.0
  O  O11  1  0.74632168  0.42032447  0.82600411  1.0
  O  O12  1  0.79486627  0.04029791  0.64517276  1.0
  O  O13  1  0.64517276  0.79486627  0.04029791  1.0
  O  O14  1  0.42032447  0.82600411  0.74632168  1.0
  O  O15  1  0.57967553  0.17399589  0.25367832  1.0
  O  O16  1  0.35482724  0.20513373  0.95970209  1.0
  O  O17  1  0.20513373  0.95970209  0.35482724  1.0
  O  O18  1  0.25367832  0.57967553  0.17399589  1.0
  O  O19  1  0.04029791  0.64517276  0.79486627  1.0
  O  O20  1  0.17399589  0.25367832  0.57967553  1.0