# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07850182
_cell_length_b   5.35253680
_cell_length_c   48.07554438
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   137.93504513
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti36
_cell_volume   1392.74555771
_cell_formula_units_Z   36
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  0.125825  0.145510  0.270755  1
  Ti  Ti2  1  0.636035  0.554669  0.291003  1
  Ti  Ti3  1  0.915479  0.405190  0.278554  1
  Ti  Ti4  1  0.428327  0.806634  0.301193  1
  Ti  Ti5  1  0.959823  0.189165  0.328320  1
  Ti  Ti6  1  0.180091  0.961231  0.320561  1
  Ti  Ti7  1  0.705766  0.366256  0.342851  1
  Ti  Ti8  1  0.241115  0.764490  0.369930  1
  Ti  Ti9  1  0.490541  0.603292  0.353130  1
  Ti  Ti10  1  0.020144  0.994502  0.379630  1
  Ti  Ti11  1  0.548533  0.398968  0.404705  1
  Ti  Ti12  1  0.770188  0.172779  0.394277  1
  Ti  Ti13  1  0.303136  0.573626  0.420537  1
  Ti  Ti14  1  0.832560  0.977676  0.445426  1
  Ti  Ti15  1  0.079842  0.797758  0.430891  1
  Ti  Ti16  1  0.609459  0.201581  0.456134  1
  Ti  Ti17  1  0.140605  0.601674  0.482068  1
  Ti  Ti18  1  0.364611  0.379360  0.471417  1
  Ti  Ti19  1  0.894611  0.783261  0.496612  1
  Ti  Ti20  1  0.425757  0.183354  0.522545  1
  Ti  Ti21  1  0.670605  1.005575  0.507263  1
  Ti  Ti22  1  0.202656  0.407260  0.533254  1
  Ti  Ti23  1  0.732080  0.811309  0.558143  1
  Ti  Ti24  1  0.955374  0.587177  0.547789  1
  Ti  Ti25  1  0.486682  0.985968  0.573974  1
  Ti  Ti26  1  0.015071  0.390434  0.599049  1
  Ti  Ti27  1  0.265028  0.212156  0.584402  1
  Ti  Ti28  1  0.794101  0.620445  0.608749  1
  Ti  Ti29  1  0.329450  0.018679  0.635829  1
  Ti  Ti30  1  0.544675  0.781643  0.625550  1
  Ti  Ti31  1  0.075393  0.195770  0.650359  1
  Ti  Ti32  1  0.606889  0.578302  0.677487  1
  Ti  Ti33  1  0.855124  0.423704  0.658118  1
  Ti  Ti34  1  0.399180  0.830266  0.687677  1
  Ti  Ti35  1  0.909391  0.239425  0.707925  1
  Ti  Ti36  1  0.119737  0.979745  0.700126  1
