# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24217921
_cell_length_b   9.23457641
_cell_length_c   47.17770376
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti96
_cell_volume   3945.15236027
_cell_formula_units_Z   96
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  0.779182  0.030669  0.315069  1
  Ti  Ti2  1  0.279182  0.530669  0.315069  1
  Ti  Ti3  1  0.191369  0.942759  0.350420  1
  Ti  Ti4  1  0.691369  0.442759  0.350420  1
  Ti  Ti5  1  0.029182  0.780669  0.315069  1
  Ti  Ti6  1  0.529182  0.280669  0.315069  1
  Ti  Ti7  1  0.441369  0.692759  0.350420  1
  Ti  Ti8  1  0.941369  0.192759  0.350420  1
  Ti  Ti9  1  0.733556  0.734891  0.331308  1
  Ti  Ti10  1  0.233556  0.234891  0.331308  1
  Ti  Ti11  1  0.317486  0.819193  0.299317  1
  Ti  Ti12  1  0.817486  0.319193  0.299317  1
  Ti  Ti13  1  0.067486  0.069193  0.299317  1
  Ti  Ti14  1  0.567486  0.569193  0.299317  1
  Ti  Ti15  1  0.483556  0.984891  0.331308  1
  Ti  Ti16  1  0.983556  0.484891  0.331308  1
  Ti  Ti17  1  0.607366  0.858556  0.384999  1
  Ti  Ti18  1  0.107366  0.358556  0.384999  1
  Ti  Ti19  1  0.023250  0.774361  0.421359  1
  Ti  Ti20  1  0.523250  0.274361  0.421359  1
  Ti  Ti21  1  0.857366  0.608556  0.384999  1
  Ti  Ti22  1  0.357366  0.108556  0.384999  1
  Ti  Ti23  1  0.273250  0.524361  0.421359  1
  Ti  Ti24  1  0.773250  0.024361  0.421359  1
  Ti  Ti25  1  0.565306  0.566481  0.403818  1
  Ti  Ti26  1  0.065306  0.066481  0.403818  1
  Ti  Ti27  1  0.148822  0.650119  0.367269  1
  Ti  Ti28  1  0.648822  0.150119  0.367269  1
  Ti  Ti29  1  0.898822  0.900119  0.367269  1
  Ti  Ti30  1  0.398822  0.400119  0.367269  1
  Ti  Ti31  1  0.315306  0.816481  0.403818  1
  Ti  Ti32  1  0.815306  0.316481  0.403818  1
  Ti  Ti33  1  0.439457  0.690449  0.457634  1
  Ti  Ti34  1  0.939457  0.190449  0.457634  1
  Ti  Ti35  1  0.855632  0.606499  0.493338  1
  Ti  Ti36  1  0.355632  0.106499  0.493338  1
  Ti  Ti37  1  0.689457  0.440449  0.457634  1
  Ti  Ti38  1  0.189457  0.940449  0.457634  1
  Ti  Ti39  1  0.105632  0.356499  0.493338  1
  Ti  Ti40  1  0.605632  0.856499  0.493338  1
  Ti  Ti41  1  0.397512  0.398443  0.475430  1
  Ti  Ti42  1  0.897512  0.898443  0.475430  1
  Ti  Ti43  1  0.981469  0.482505  0.439268  1
  Ti  Ti44  1  0.481469  0.982505  0.439268  1
  Ti  Ti45  1  0.731469  0.732505  0.439268  1
  Ti  Ti46  1  0.231469  0.232505  0.439268  1
  Ti  Ti47  1  0.147512  0.648443  0.475430  1
  Ti  Ti48  1  0.647512  0.148443  0.475430  1
  Ti  Ti49  1  0.271759  0.522511  0.529499  1
  Ti  Ti50  1  0.771759  0.022511  0.529499  1
  Ti  Ti51  1  0.687802  0.438448  0.565661  1
  Ti  Ti52  1  0.187802  0.938448  0.565661  1
  Ti  Ti53  1  0.521759  0.272511  0.529499  1
  Ti  Ti54  1  0.021759  0.772511  0.529499  1
  Ti  Ti55  1  0.937802  0.188448  0.565661  1
  Ti  Ti56  1  0.437802  0.688448  0.565661  1
  Ti  Ti57  1  0.229813  0.230505  0.547295  1
  Ti  Ti58  1  0.729813  0.730505  0.547295  1
  Ti  Ti59  1  0.813638  0.314455  0.511591  1
  Ti  Ti60  1  0.313638  0.814455  0.511591  1
  Ti  Ti61  1  0.563638  0.564455  0.511591  1
  Ti  Ti62  1  0.063638  0.064455  0.511591  1
  Ti  Ti63  1  0.979813  0.480505  0.547295  1
  Ti  Ti64  1  0.479813  0.980505  0.547295  1
  Ti  Ti65  1  0.103965  0.354473  0.601111  1
  Ti  Ti66  1  0.603965  0.854473  0.601111  1
  Ti  Ti67  1  0.520449  0.270835  0.637660  1
  Ti  Ti68  1  0.020449  0.770835  0.637660  1
  Ti  Ti69  1  0.353965  0.104473  0.601111  1
  Ti  Ti70  1  0.853965  0.604473  0.601111  1
  Ti  Ti71  1  0.770449  0.020835  0.637660  1
  Ti  Ti72  1  0.270449  0.520835  0.637660  1
  Ti  Ti73  1  0.061905  0.062397  0.619930  1
  Ti  Ti74  1  0.561905  0.562397  0.619930  1
  Ti  Ti75  1  0.646021  0.146592  0.583570  1
  Ti  Ti76  1  0.146021  0.646592  0.583570  1
  Ti  Ti77  1  0.396021  0.396592  0.583570  1
  Ti  Ti78  1  0.896021  0.896592  0.583570  1
  Ti  Ti79  1  0.811905  0.312397  0.619930  1
  Ti  Ti80  1  0.311905  0.812397  0.619930  1
  Ti  Ti81  1  0.935715  0.186062  0.673621  1
  Ti  Ti82  1  0.435715  0.686062  0.673621  1
  Ti  Ti83  1  0.351785  0.101760  0.705612  1
  Ti  Ti84  1  0.851785  0.601760  0.705612  1
  Ti  Ti85  1  0.185715  0.936062  0.673621  1
  Ti  Ti86  1  0.685715  0.436062  0.673621  1
  Ti  Ti87  1  0.601785  0.851760  0.705612  1
  Ti  Ti88  1  0.101785  0.351760  0.705612  1
  Ti  Ti89  1  0.890089  0.890285  0.689860  1
  Ti  Ti90  1  0.390089  0.390285  0.689860  1
  Ti  Ti91  1  0.477901  0.978195  0.654509  1
  Ti  Ti92  1  0.977901  0.478195  0.654509  1
  Ti  Ti93  1  0.227901  0.228195  0.654509  1
  Ti  Ti94  1  0.727901  0.728195  0.654509  1
  Ti  Ti95  1  0.640089  0.140285  0.689860  1
  Ti  Ti96  1  0.140089  0.640285  0.689860  1
