# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.13666282
_cell_length_b   9.60402204
_cell_length_c   48.67345932
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.13877700
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti135
_cell_volume   5650.61294682
_cell_formula_units_Z   135
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  0.247533  0.768148  0.342739  1
  Ti  Ti2  1  0.220616  0.526517  0.310291  1
  Ti  Ti3  1  0.239842  0.252194  0.292437  1
  Ti  Ti4  1  0.578150  0.421709  0.344686  1
  Ti  Ti5  1  0.556687  0.183878  0.309801  1
  Ti  Ti6  1  0.908734  0.101307  0.343209  1
  Ti  Ti7  1  0.589927  0.698534  0.364288  1
  Ti  Ti8  1  0.891587  0.846037  0.313584  1
  Ti  Ti9  1  0.931683  0.367868  0.364319  1
  Ti  Ti10  1  0.367027  0.512267  0.355966  1
  Ti  Ti11  1  0.364793  0.237679  0.337235  1
  Ti  Ti12  1  0.324654  0.987600  0.306579  1
  Ti  Ti13  1  0.698011  0.169964  0.355721  1
  Ti  Ti14  1  0.673797  0.908050  0.327660  1
  Ti  Ti15  1  0.034631  0.831037  0.358711  1
  Ti  Ti16  1  0.653492  0.627004  0.308070  1
  Ti  Ti17  1  0.005849  0.581263  0.327082  1
  Ti  Ti18  1  0.996273  0.301220  0.305701  1
  Ti  Ti19  1  0.445155  0.730173  0.317840  1
  Ti  Ti20  1  0.440412  0.444480  0.300276  1
  Ti  Ti21  1  0.475961  0.978231  0.349992  1
  Ti  Ti22  1  0.780825  0.389590  0.319101  1
  Ti  Ti23  1  0.786004  0.123463  0.298671  1
  Ti  Ti24  1  0.105838  0.048602  0.320746  1
  Ti  Ti25  1  0.805712  0.633628  0.351096  1
  Ti  Ti26  1  0.125598  0.794443  0.297907  1
  Ti  Ti27  1  0.150563  0.307688  0.347322  1
  Ti  Ti28  1  0.293087  0.555583  0.421577  1
  Ti  Ti29  1  0.282605  0.293504  0.395158  1
  Ti  Ti30  1  0.256548  0.025823  0.366543  1
  Ti  Ti31  1  0.636676  0.216650  0.426369  1
  Ti  Ti32  1  0.614480  0.959888  0.395958  1
  Ti  Ti33  1  0.960751  0.889523  0.421083  1
  Ti  Ti34  1  0.645644  0.480549  0.451643  1
  Ti  Ti35  1  0.944703  0.620945  0.396948  1
  Ti  Ti36  1  0.978093  0.145857  0.451060  1
  Ti  Ti37  1  0.421476  0.281217  0.442357  1
  Ti  Ti38  1  0.396263  0.015829  0.415101  1
  Ti  Ti39  1  0.389872  0.765113  0.386658  1
  Ti  Ti40  1  0.754774  0.950218  0.442636  1
  Ti  Ti41  1  0.728947  0.689105  0.413048  1
  Ti  Ti42  1  0.085869  0.610262  0.443600  1
  Ti  Ti43  1  0.725811  0.421683  0.388145  1
  Ti  Ti44  1  0.065653  0.355379  0.413312  1
  Ti  Ti45  1  0.056571  0.100301  0.385784  1
  Ti  Ti46  1  0.508140  0.492733  0.404204  1
  Ti  Ti47  1  0.497601  0.221843  0.381986  1
  Ti  Ti48  1  0.523404  0.751856  0.433376  1
  Ti  Ti49  1  0.840359  0.157795  0.403499  1
  Ti  Ti50  1  0.816144  0.892968  0.374717  1
  Ti  Ti51  1  0.174961  0.817926  0.405891  1
  Ti  Ti52  1  0.859756  0.413151  0.435051  1
  Ti  Ti53  1  0.147707  0.560987  0.374807  1
  Ti  Ti54  1  0.190538  0.084806  0.432987  1
  Ti  Ti55  1  0.345567  0.334454  0.506730  1
  Ti  Ti56  1  0.332289  0.072984  0.479701  1
  Ti  Ti57  1  0.311247  0.807169  0.453075  1
  Ti  Ti58  1  0.680657  0.996543  0.508613  1
  Ti  Ti59  1  0.664709  0.741465  0.479573  1
  Ti  Ti60  1  0.011522  0.668418  0.506901  1
  Ti  Ti61  1  0.700599  0.261421  0.535187  1
  Ti  Ti62  1  1.000362  0.401764  0.481374  1
  Ti  Ti63  1  0.033714  0.929719  0.535434  1
  Ti  Ti64  1  0.471663  0.060482  0.527164  1
  Ti  Ti65  1  0.452417  0.798703  0.498874  1
  Ti  Ti66  1  0.431974  0.542538  0.469104  1
  Ti  Ti67  1  0.802836  0.730334  0.526695  1
  Ti  Ti68  1  0.787818  0.472744  0.497707  1
  Ti  Ti69  1  0.137465  0.388576  0.528815  1
  Ti  Ti70  1  0.773349  0.206110  0.472955  1
  Ti  Ti71  1  0.119993  0.137027  0.497153  1
  Ti  Ti72  1  0.098392  0.875757  0.468887  1
  Ti  Ti73  1  0.558484  0.269417  0.489253  1
  Ti  Ti74  1  0.541272  1.007847  0.461430  1
  Ti  Ti75  1  0.574044  0.532496  0.515498  1
  Ti  Ti76  1  0.892134  0.938975  0.489417  1
  Ti  Ti77  1  0.873566  0.682042  0.459499  1
  Ti  Ti78  1  0.223990  0.597616  0.490735  1
  Ti  Ti79  1  0.915014  0.194604  0.519699  1
  Ti  Ti80  1  0.208308  0.346223  0.459574  1
  Ti  Ti81  1  0.239485  0.864451  0.515487  1
  Ti  Ti82  1  0.400095  0.116837  0.590105  1
  Ti  Ti83  1  0.374229  0.852183  0.562324  1
  Ti  Ti84  1  0.367065  0.588691  0.537173  1
  Ti  Ti85  1  0.728920  0.775991  0.592947  1
  Ti  Ti86  1  0.711057  0.520736  0.562172  1
  Ti  Ti87  1  0.064702  0.448952  0.591421  1
  Ti  Ti88  1  0.758394  0.044600  0.622274  1
  Ti  Ti89  1  0.053769  0.179881  0.567801  1
  Ti  Ti90  1  0.083886  0.711203  0.621009  1
  Ti  Ti91  1  0.513801  0.847945  0.606307  1
  Ti  Ti92  1  0.506068  0.575211  0.585049  1
  Ti  Ti93  1  0.486959  0.324979  0.552767  1
  Ti  Ti94  1  0.849790  0.514227  0.607485  1
  Ti  Ti95  1  0.837748  0.249490  0.582635  1
  Ti  Ti96  1  0.201078  0.174226  0.614928  1
  Ti  Ti97  1  0.822516  0.984703  0.555167  1
  Ti  Ti98  1  0.171004  0.920324  0.582748  1
  Ti  Ti99  1  0.153098  0.657584  0.553384  1
  Ti  Ti100  1  0.618147  0.054174  0.573613  1
  Ti  Ti101  1  0.588962  0.787691  0.545738  1
  Ti  Ti102  1  0.620501  0.314774  0.599998  1
  Ti  Ti103  1  0.946184  0.720455  0.572994  1
  Ti  Ti104  1  0.924799  0.459994  0.544664  1
  Ti  Ti105  1  0.280659  0.379487  0.575329  1
  Ti  Ti106  1  0.955783  0.968089  0.602480  1
  Ti  Ti107  1  0.257680  0.125432  0.543901  1
  Ti  Ti108  1  0.287704  0.644674  0.600765  1
  Ti  Ti109  1  0.454132  0.892733  0.676456  1
  Ti  Ti110  1  0.438827  0.644775  0.643432  1
  Ti  Ti111  1  0.415342  0.368124  0.624521  1
  Ti  Ti112  1  0.791508  0.542337  0.680280  1
  Ti  Ti113  1  0.765945  0.308146  0.644768  1
  Ti  Ti114  1  0.129400  0.213836  0.676058  1
  Ti  Ti115  1  0.768682  0.816607  0.695715  1
  Ti  Ti116  1  0.100042  0.963249  0.646092  1
  Ti  Ti117  1  0.114994  0.485369  0.695744  1
  Ti  Ti118  1  0.571516  0.625943  0.688428  1
  Ti  Ti119  1  0.563823  0.340560  0.670096  1
  Ti  Ti120  1  0.539090  0.098283  0.636210  1
  Ti  Ti121  1  0.912399  0.294342  0.688198  1
  Ti  Ti122  1  0.904593  0.019084  0.668660  1
  Ti  Ti123  1  0.222684  0.942936  0.690887  1
  Ti  Ti124  1  0.862868  0.758439  0.641282  1
  Ti  Ti125  1  0.237713  0.692302  0.666209  1
  Ti  Ti126  1  0.196668  0.435191  0.639363  1
  Ti  Ti127  1  0.647497  0.833467  0.650727  1
  Ti  Ti128  1  0.649039  0.558743  0.633513  1
  Ti  Ti129  1  0.687382  0.086507  0.680383  1
  Ti  Ti130  1  0.984066  0.503230  0.652116  1
  Ti  Ti131  1  0.980662  0.233858  0.630453  1
  Ti  Ti132  1  0.346079  0.157520  0.662868  1
  Ti  Ti133  1  0.019611  0.750005  0.683748  1
  Ti  Ti134  1  0.313910  0.911855  0.630074  1
  Ti  Ti135  1  0.352281  0.444425  0.681137  1
