# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.71144125
_cell_length_b   5.36743503
_cell_length_c   47.92705783
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   53.87940183
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti90
_cell_volume   3472.58991053
_cell_formula_units_Z   90
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  0.790460  0.441075  0.289266  1
  Ti  Ti2  1  0.114682  0.201945  0.306717  1
  Ti  Ti3  1  0.503254  0.559361  0.280620  1
  Ti  Ti4  1  0.909327  0.661104  0.296574  1
  Ti  Ti5  1  0.200710  0.525654  0.309920  1
  Ti  Ti6  1  0.584827  0.905210  0.280911  1
  Ti  Ti7  1  0.995494  0.979967  0.299591  1
  Ti  Ti8  1  0.325363  0.739569  0.313838  1
  Ti  Ti9  1  0.705293  0.121241  0.286564  1
  Ti  Ti10  1  0.725907  0.814466  0.335602  1
  Ti  Ti11  1  0.021363  0.655487  0.348568  1
  Ti  Ti12  1  0.408815  0.072372  0.315848  1
  Ti  Ti13  1  0.817192  0.117390  0.338435  1
  Ti  Ti14  1  0.129270  0.903544  0.355697  1
  Ti  Ti15  1  0.526253  0.265119  0.328639  1
  Ti  Ti16  1  0.927765  0.359669  0.345687  1
  Ti  Ti17  1  0.225491  0.186008  0.357629  1
  Ti  Ti18  1  0.611817  0.579426  0.328608  1
  Ti  Ti19  1  0.634994  0.262462  0.379639  1
  Ti  Ti20  1  0.949355  0.050491  0.396063  1
  Ti  Ti21  1  0.333538  0.441109  0.364432  1
  Ti  Ti22  1  0.744206  0.511938  0.386018  1
  Ti  Ti23  1  0.045973  0.340513  0.399596  1
  Ti  Ti24  1  0.428153  0.742460  0.366549  1
  Ti  Ti25  1  0.841142  0.801137  0.389506  1
  Ti  Ti26  1  0.155452  0.584043  0.405284  1
  Ti  Ti27  1  0.539448  0.964811  0.376907  1
  Ti  Ti28  1  0.564151  0.657695  0.427189  1
  Ti  Ti29  1  0.865079  0.486337  0.440357  1
  Ti  Ti30  1  0.250932  0.877749  0.409305  1
  Ti  Ti31  1  0.660196  0.947937  0.430470  1
  Ti  Ti32  1  0.971762  0.739821  0.446635  1
  Ti  Ti33  1  0.360004  0.124937  0.415492  1
  Ti  Ti34  1  0.767747  0.199833  0.436630  1
  Ti  Ti35  1  0.070304  0.021315  0.449876  1
  Ti  Ti36  1  0.455442  0.420838  0.418306  1
  Ti  Ti37  1  0.478207  0.104818  0.469557  1
  Ti  Ti38  1  0.790198  0.888502  0.487307  1
  Ti  Ti39  1  0.176251  0.278938  0.456359  1
  Ti  Ti40  1  0.586006  0.347509  0.477546  1
  Ti  Ti41  1  0.887650  0.174262  0.491073  1
  Ti  Ti42  1  0.274354  0.561860  0.459882  1
  Ti  Ti43  1  0.682999  0.635575  0.481022  1
  Ti  Ti44  1  0.995191  0.425047  0.496953  1
  Ti  Ti45  1  0.381390  0.814444  0.466190  1
  Ti  Ti46  1  0.404421  0.503046  0.516887  1
  Ti  Ti47  1  0.706030  0.324177  0.531719  1
  Ti  Ti48  1  0.092229  0.713574  0.500957  1
  Ti  Ti49  1  0.501414  0.791112  0.520363  1
  Ti  Ti50  1  0.813066  0.576761  0.538027  1
  Ti  Ti51  1  0.199770  0.964359  0.506836  1
  Ti  Ti52  1  0.609213  0.033803  0.528352  1
  Ti  Ti53  1  0.911169  0.859683  0.541550  1
  Ti  Ti54  1  0.297222  0.250118  0.510603  1
  Ti  Ti55  1  0.319673  0.938788  0.561279  1
  Ti  Ti56  1  0.631978  0.717783  0.579603  1
  Ti  Ti57  1  0.017116  0.117306  0.548033  1
  Ti  Ti58  1  0.427224  0.190683  0.567440  1
  Ti  Ti59  1  0.727416  0.013684  0.582417  1
  Ti  Ti60  1  0.115658  0.398800  0.551275  1
  Ti  Ti61  1  0.523269  0.480926  0.570721  1
  Ti  Ti62  1  0.836488  0.260871  0.588605  1
  Ti  Ti63  1  0.222340  0.652284  0.557552  1
  Ti  Ti64  1  0.246278  0.337484  0.608403  1
  Ti  Ti65  1  0.547972  0.173809  0.621002  1
  Ti  Ti66  1  0.931968  0.554578  0.592625  1
  Ti  Ti67  1  0.343213  0.626682  0.611892  1
  Ti  Ti68  1  0.659267  0.396161  0.631361  1
  Ti  Ti69  1  0.041447  0.798107  0.598314  1
  Ti  Ti70  1  0.452426  0.876159  0.618270  1
  Ti  Ti71  1  0.753882  0.697512  0.633477  1
  Ti  Ti72  1  0.138065  0.088130  0.601847  1
  Ti  Ti73  1  0.159655  0.778952  0.652223  1
  Ti  Ti74  1  0.475603  0.559195  0.669302  1
  Ti  Ti75  1  0.861929  0.952612  0.640281  1
  Ti  Ti76  1  0.270228  0.021231  0.659474  1
  Ti  Ti77  1  0.561167  0.873501  0.669270  1
  Ti  Ti78  1  0.958150  0.235076  0.642213  1
  Ti  Ti79  1  0.361513  0.324154  0.662308  1
  Ti  Ti80  1  0.678605  0.066248  0.682061  1
  Ti  Ti81  1  0.066057  0.483134  0.649341  1
  Ti  Ti82  1  0.091926  0.158653  0.698318  1
  Ti  Ti83  1  0.382127  0.017380  0.711345  1
  Ti  Ti84  1  0.762057  0.399051  0.684072  1
  Ti  Ti85  1  0.178093  0.477517  0.701335  1
  Ti  Ti86  1  0.502593  0.233411  0.716998  1
  Ti  Ti87  1  0.886710  0.612966  0.687989  1
  Ti  Ti88  1  0.296960  0.697546  0.708643  1
  Ti  Ti89  1  0.584166  0.579259  0.717289  1
  Ti  Ti90  1  0.972738  0.936676  0.691192  1
