# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69536316
_cell_length_b   12.61280117
_cell_length_c   45.88392108
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.60259557
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti72
_cell_volume   2670.93016829
_cell_formula_units_Z   72
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  Ti1  1  0.424141  0.863372  0.312046  1
  Ti  Ti2  1  0.754034  0.522373  0.320938  1
  Ti  Ti3  1  0.075353  0.166779  0.291200  1
  Ti  Ti4  1  0.309346  0.633401  0.304466  1
  Ti  Ti5  1  0.642254  0.299203  0.316149  1
  Ti  Ti6  1  0.985832  0.986740  0.336887  1
  Ti  Ti7  1  0.868383  0.751191  0.328118  1
  Ti  Ti8  1  0.192885  0.400811  0.297132  1
  Ti  Ti9  1  0.534368  0.084702  0.318209  1
  Ti  Ti10  1  0.463231  0.940504  0.371011  1
  Ti  Ti11  1  0.794787  0.602359  0.379868  1
  Ti  Ti12  1  0.112052  0.238082  0.348105  1
  Ti  Ti13  1  0.349560  0.712652  0.362953  1
  Ti  Ti14  1  0.682919  0.378752  0.374664  1
  Ti  Ti15  1  0.026998  0.067197  0.396647  1
  Ti  Ti16  1  0.909085  0.831324  0.387488  1
  Ti  Ti17  1  0.232867  0.479220  0.355141  1
  Ti  Ti18  1  0.574307  0.162407  0.375745  1
  Ti  Ti19  1  0.502337  0.016878  0.429998  1
  Ti  Ti20  1  0.834037  0.679089  0.439293  1
  Ti  Ti21  1  0.151082  0.314500  0.406093  1
  Ti  Ti22  1  0.388570  0.789018  0.422355  1
  Ti  Ti23  1  0.722138  0.455121  0.433587  1
  Ti  Ti24  1  0.067120  0.145821  0.456286  1
  Ti  Ti25  1  0.948736  0.908836  0.447248  1
  Ti  Ti26  1  0.272170  0.555956  0.414044  1
  Ti  Ti27  1  0.612913  0.238073  0.433872  1
  Ti  Ti28  1  0.540951  0.092437  0.488958  1
  Ti  Ti29  1  0.873044  0.755317  0.498633  1
  Ti  Ti30  1  0.190676  0.391465  0.464765  1
  Ti  Ti31  1  0.427632  0.865375  0.481753  1
  Ti  Ti32  1  0.760809  0.530586  0.492451  1
  Ti  Ti33  1  0.107207  0.223926  0.515653  1
  Ti  Ti34  1  0.988162  0.985972  0.506803  1
  Ti  Ti35  1  0.311432  0.632657  0.473321  1
  Ti  Ti36  1  0.651431  0.312825  0.491925  1
  Ti  Ti37  1  0.579609  0.167806  0.547870  1
  Ti  Ti38  1  0.911985  0.831451  0.557952  1
  Ti  Ti39  1  0.230498  0.469198  0.523827  1
  Ti  Ti40  1  0.466638  0.941639  0.541121  1
  Ti  Ti41  1  0.799332  0.605830  0.551299  1
  Ti  Ti42  1  0.147073  0.301735  0.574813  1
  Ti  Ti43  1  0.027572  0.062908  0.566243  1
  Ti  Ti44  1  0.350820  0.709646  0.532744  1
  Ti  Ti45  1  0.689664  0.387274  0.549942  1
  Ti  Ti46  1  0.618304  0.243350  0.606772  1
  Ti  Ti47  1  0.951072  0.907763  0.617300  1
  Ti  Ti48  1  0.270626  0.547599  0.583146  1
  Ti  Ti49  1  0.505783  0.018069  0.600509  1
  Ti  Ti50  1  0.837914  0.681241  0.610162  1
  Ti  Ti51  1  0.186759  0.379248  0.633646  1
  Ti  Ti52  1  0.066909  0.139780  0.625570  1
  Ti  Ti53  1  0.390390  0.787008  0.592296  1
  Ti  Ti54  1  0.727964  0.461913  0.607942  1
  Ti  Ti55  1  0.657379  0.319715  0.665714  1
  Ti  Ti56  1  0.990160  0.984309  0.676653  1
  Ti  Ti57  1  0.311166  0.626856  0.642748  1
  Ti  Ti58  1  0.545132  0.095056  0.659986  1
  Ti  Ti59  1  0.877020  0.757411  0.669014  1
  Ti  Ti60  1  0.226309  0.456547  0.691838  1
  Ti  Ti61  1  0.106293  0.216872  0.684592  1
  Ti  Ti62  1  0.430313  0.864937  0.652051  1
  Ti  Ti63  1  0.766627  0.537394  0.665969  1
  Ti  Ti64  1  0.697950  0.398979  0.724253  1
  Ti  Ti65  1  0.030299  0.063536  0.735205  1
  Ti  Ti66  1  0.352847  0.708034  0.702547  1
  Ti  Ti67  1  0.585801  0.175018  0.718989  1
  Ti  Ti68  1  0.916198  0.834746  0.727727  1
  Ti  Ti69  1  0.263820  0.529121  0.748921  1
  Ti  Ti70  1  0.146421  0.295576  0.742723  1
  Ti  Ti71  1  0.471204  0.945501  0.711424  1
  Ti  Ti72  1  0.806556  0.614627  0.723379  1
