# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.90722641
_cell_length_b   5.36944254
_cell_length_c   48.47256194
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   53.53124631
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti90
_cell_volume   3538.76252209
_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  0.824709  0.262310  0.284511  1
  Ti  Ti2  1  0.142884  0.051413  0.299846  1
  Ti  Ti3  1  0.524625  0.407211  0.273387  1
  Ti  Ti4  1  0.934991  0.512137  0.290364  1
  Ti  Ti5  1  0.241451  0.337522  0.303249  1
  Ti  Ti6  1  0.615685  0.724791  0.275752  1
  Ti  Ti7  1  0.033271  0.799129  0.294319  1
  Ti  Ti8  1  0.353297  0.583465  0.307943  1
  Ti  Ti9  1  0.728299  0.970219  0.280929  1
  Ti  Ti10  1  0.760757  0.655670  0.331026  1
  Ti  Ti11  1  0.061628  0.480759  0.344139  1
  Ti  Ti12  1  0.447855  0.882307  0.312705  1
  Ti  Ti13  1  0.857527  0.942203  0.334558  1
  Ti  Ti14  1  0.167087  0.738363  0.349630  1
  Ti  Ti15  1  0.558001  0.113125  0.322836  1
  Ti  Ti16  1  0.963717  0.198550  0.340461  1
  Ti  Ti17  1  0.265719  0.018590  0.352909  1
  Ti  Ti18  1  0.652573  0.404333  0.325137  1
  Ti  Ti19  1  0.672646  0.094001  0.375083  1
  Ti  Ti20  1  0.983570  0.889192  0.390398  1
  Ti  Ti21  1  0.370929  0.280613  0.359218  1
  Ti  Ti22  1  0.779101  0.349350  0.380849  1
  Ti  Ti23  1  0.082622  0.169813  0.394302  1
  Ti  Ti24  1  0.467711  0.567239  0.363725  1
  Ti  Ti25  1  0.877758  0.631461  0.384760  1
  Ti  Ti26  1  0.188473  0.427928  0.399648  1
  Ti  Ti27  1  0.574796  0.809688  0.371576  1
  Ti  Ti28  1  0.596908  0.502316  0.421289  1
  Ti  Ti29  1  0.900552  0.319448  0.435084  1
  Ti  Ti30  1  0.287045  0.711420  0.403838  1
  Ti  Ti31  1  0.695679  0.782365  0.425238  1
  Ti  Ti32  1  0.005569  0.579785  0.440651  1
  Ti  Ti33  1  0.392533  0.970665  0.409992  1
  Ti  Ti34  1  0.801232  0.040014  0.431023  1
  Ti  Ti35  1  0.105241  0.858571  0.444639  1
  Ti  Ti36  1  0.490856  0.252046  0.414378  1
  Ti  Ti37  1  0.513321  0.939250  0.464752  1
  Ti  Ti38  1  0.823064  0.729928  0.481251  1
  Ti  Ti39  1  0.209965  0.120965  0.450238  1
  Ti  Ti40  1  0.618795  0.192717  0.471227  1
  Ti  Ti41  1  0.922410  1.009347  0.485454  1
  Ti  Ti42  1  0.309301  0.400966  0.454471  1
  Ti  Ti43  1  0.717881  0.471410  0.475437  1
  Ti  Ti44  1  0.027358  0.270391  0.490976  1
  Ti  Ti45  1  0.414317  0.660285  0.460421  1
  Ti  Ti46  1  0.436256  0.349474  0.510687  1
  Ti  Ti47  1  0.739819  0.160598  0.525703  1
  Ti  Ti48  1  0.126778  0.550492  0.495148  1
  Ti  Ti49  1  0.535342  0.628166  0.514897  1
  Ti  Ti50  1  0.844836  0.419917  0.531653  1
  Ti  Ti51  1  0.231727  0.811537  0.500670  1
  Ti  Ti52  1  0.640816  0.881633  0.521372  1
  Ti  Ti53  1  0.944172  0.699919  0.535886  1
  Ti  Ti54  1  0.331073  0.090955  0.504873  1
  Ti  Ti55  1  0.352905  0.780869  0.555101  1
  Ti  Ti56  1  0.663281  0.568837  0.571746  1
  Ti  Ti57  1  0.048895  0.962312  0.541485  1
  Ti  Ti58  1  0.458458  0.038518  0.560886  1
  Ti  Ti59  1  0.761604  0.850218  0.576132  1
  Ti  Ti60  1  0.148568  0.241099  0.545473  1
  Ti  Ti61  1  0.557229  0.318567  0.564835  1
  Ti  Ti62  1  0.867092  0.109463  0.582286  1
  Ti  Ti63  1  0.253585  0.501435  0.551040  1
  Ti  Ti64  1  0.276379  0.189422  0.601364  1
  Ti  Ti65  1  0.579341  1.011195  0.614548  1
  Ti  Ti66  1  0.965664  0.392955  0.586476  1
  Ti  Ti67  1  0.375036  0.471533  0.605275  1
  Ti  Ti68  1  0.686426  0.253644  0.622399  1
  Ti  Ti69  1  0.071515  0.651070  0.591822  1
  Ti  Ti70  1  0.481491  0.726882  0.611041  1
  Ti  Ti71  1  0.783208  0.540270  0.626906  1
  Ti  Ti72  1  0.170567  0.931691  0.595726  1
  Ti  Ti73  1  0.190420  0.622334  0.645663  1
  Ti  Ti74  1  0.501564  0.416550  0.660987  1
  Ti  Ti75  1  0.888417  0.802294  0.633215  1
  Ti  Ti76  1  0.296610  0.878680  0.651566  1
  Ti  Ti77  1  0.596136  0.707758  0.663288  1
  Ti  Ti78  1  0.987050  0.082520  0.636494  1
  Ti  Ti79  1  0.393380  0.165213  0.655097  1
  Ti  Ti80  1  0.706281  0.938576  0.673419  1
  Ti  Ti81  1  0.092509  0.340124  0.641985  1
  Ti  Ti82  1  0.120866  0.021754  0.691805  1
  Ti  Ti83  1  0.425838  0.850664  0.705195  1
  Ti  Ti84  1  0.800840  0.237418  0.678181  1
  Ti  Ti85  1  0.219146  0.308746  0.695760  1
  Ti  Ti86  1  0.538452  0.096092  0.710372  1
  Ti  Ti87  1  0.912686  0.483361  0.682875  1
  Ti  Ti88  1  0.329428  0.558573  0.701613  1
  Ti  Ti89  1  0.629512  0.413672  0.712737  1
  Ti  Ti90  1  0.011252  0.769470  0.686278  1
