# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84510409
_cell_length_b   13.01357268
_cell_length_c   48.69143278
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti96
_cell_volume   3609.96630292
_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  0.716708  0.929070  0.274504  1
  Ti  Ti2  1  0.872771  0.241092  0.291143  1
  Ti  Ti3  1  0.031832  0.559445  0.311903  1
  Ti  Ti4  1  0.872771  0.741092  0.291143  1
  Ti  Ti5  1  0.031832  0.059445  0.311903  1
  Ti  Ti6  1  0.716708  0.429070  0.274504  1
  Ti  Ti7  1  0.372771  0.741092  0.291143  1
  Ti  Ti8  1  0.531832  0.059445  0.311903  1
  Ti  Ti9  1  0.216708  0.429070  0.274504  1
  Ti  Ti10  1  0.216708  0.929070  0.274504  1
  Ti  Ti11  1  0.372771  0.241092  0.291143  1
  Ti  Ti12  1  0.531832  0.559445  0.311903  1
  Ti  Ti13  1  0.188350  0.872623  0.330993  1
  Ti  Ti14  1  0.346873  0.189781  0.350724  1
  Ti  Ti15  1  0.504265  0.504611  0.370330  1
  Ti  Ti16  1  0.346873  0.689781  0.350724  1
  Ti  Ti17  1  0.504265  0.004611  0.370330  1
  Ti  Ti18  1  0.188350  0.372623  0.330993  1
  Ti  Ti19  1  0.846873  0.689781  0.350724  1
  Ti  Ti20  1  0.004265  0.004611  0.370330  1
  Ti  Ti21  1  0.688350  0.372623  0.330993  1
  Ti  Ti22  1  0.688350  0.872623  0.330993  1
  Ti  Ti23  1  0.846873  0.189781  0.350724  1
  Ti  Ti24  1  0.004265  0.504611  0.370330  1
  Ti  Ti25  1  0.662148  0.820411  0.390121  1
  Ti  Ti26  1  0.819896  0.135915  0.409760  1
  Ti  Ti27  1  0.977773  0.451677  0.429521  1
  Ti  Ti28  1  0.819896  0.635915  0.409760  1
  Ti  Ti29  1  0.977773  0.951677  0.429521  1
  Ti  Ti30  1  0.662148  0.320411  0.390121  1
  Ti  Ti31  1  0.319896  0.635915  0.409760  1
  Ti  Ti32  1  0.477773  0.951677  0.429521  1
  Ti  Ti33  1  0.162148  0.320411  0.390121  1
  Ti  Ti34  1  0.162148  0.820411  0.390121  1
  Ti  Ti35  1  0.319896  0.135915  0.409760  1
  Ti  Ti36  1  0.477773  0.451677  0.429521  1
  Ti  Ti37  1  0.135592  0.767317  0.449210  1
  Ti  Ti38  1  0.293490  0.083121  0.468943  1
  Ti  Ti39  1  0.451369  0.398881  0.488637  1
  Ti  Ti40  1  0.293490  0.583121  0.468943  1
  Ti  Ti41  1  0.451369  0.898881  0.488637  1
  Ti  Ti42  1  0.135592  0.267317  0.449210  1
  Ti  Ti43  1  0.793490  0.583121  0.468943  1
  Ti  Ti44  1  0.951369  0.898881  0.488637  1
  Ti  Ti45  1  0.635592  0.267317  0.449210  1
  Ti  Ti46  1  0.635592  0.767317  0.449210  1
  Ti  Ti47  1  0.793490  0.083121  0.468943  1
  Ti  Ti48  1  0.951369  0.398881  0.488637  1
  Ti  Ti49  1  0.609233  0.714612  0.508367  1
  Ti  Ti50  1  0.767112  0.030372  0.528061  1
  Ti  Ti51  1  0.925010  0.346176  0.547794  1
  Ti  Ti52  1  0.767112  0.530372  0.528061  1
  Ti  Ti53  1  0.925010  0.846176  0.547794  1
  Ti  Ti54  1  0.609233  0.214612  0.508367  1
  Ti  Ti55  1  0.267112  0.530372  0.528061  1
  Ti  Ti56  1  0.425010  0.846176  0.547794  1
  Ti  Ti57  1  0.109233  0.214612  0.508367  1
  Ti  Ti58  1  0.109233  0.714612  0.508367  1
  Ti  Ti59  1  0.267112  0.030372  0.528061  1
  Ti  Ti60  1  0.425010  0.346176  0.547794  1
  Ti  Ti61  1  0.082830  0.661816  0.567483  1
  Ti  Ti62  1  0.240706  0.977578  0.587244  1
  Ti  Ti63  1  0.398454  0.293082  0.606883  1
  Ti  Ti64  1  0.240706  0.477578  0.587244  1
  Ti  Ti65  1  0.398454  0.793082  0.606883  1
  Ti  Ti66  1  0.082830  0.161816  0.567483  1
  Ti  Ti67  1  0.740706  0.477578  0.587244  1
  Ti  Ti68  1  0.898454  0.793082  0.606883  1
  Ti  Ti69  1  0.582830  0.161816  0.567483  1
  Ti  Ti70  1  0.582830  0.661816  0.567483  1
  Ti  Ti71  1  0.740706  0.977578  0.587244  1
  Ti  Ti72  1  0.898454  0.293082  0.606883  1
  Ti  Ti73  1  0.556337  0.608882  0.626674  1
  Ti  Ti74  1  0.713729  0.923712  0.646280  1
  Ti  Ti75  1  0.872252  0.240870  0.666011  1
  Ti  Ti76  1  0.713729  0.423712  0.646280  1
  Ti  Ti77  1  0.872252  0.740870  0.666011  1
  Ti  Ti78  1  0.556337  0.108882  0.626674  1
  Ti  Ti79  1  0.213729  0.423712  0.646280  1
  Ti  Ti80  1  0.372252  0.740870  0.666011  1
  Ti  Ti81  1  0.056337  0.108882  0.626674  1
  Ti  Ti82  1  0.056337  0.608882  0.626674  1
  Ti  Ti83  1  0.213729  0.923712  0.646280  1
  Ti  Ti84  1  0.372252  0.240870  0.666011  1
  Ti  Ti85  1  0.028770  0.554049  0.685102  1
  Ti  Ti86  1  0.187831  0.872401  0.705862  1
  Ti  Ti87  1  0.343894  0.184423  0.722500  1
  Ti  Ti88  1  0.187831  0.372401  0.705862  1
  Ti  Ti89  1  0.343894  0.684423  0.722500  1
  Ti  Ti90  1  0.028770  0.054049  0.685102  1
  Ti  Ti91  1  0.687831  0.372401  0.705862  1
  Ti  Ti92  1  0.843894  0.684423  0.722500  1
  Ti  Ti93  1  0.528770  0.054049  0.685102  1
  Ti  Ti94  1  0.528770  0.554049  0.685102  1
  Ti  Ti95  1  0.687831  0.872401  0.705862  1
  Ti  Ti96  1  0.843894  0.184423  0.722500  1
