# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.28210130
_cell_length_b   5.36325573
_cell_length_c   48.12481853
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.24218991
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti81
_cell_volume   3128.92732895
_cell_formula_units_Z   81
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  0.145966  0.714094  0.283118  1
  Ti  Ti2  1  0.474926  0.425526  0.300825  1
  Ti  Ti3  1  0.814709  0.187724  0.313315  1
  Ti  Ti4  1  0.249184  0.408069  0.320769  1
  Ti  Ti5  1  0.577386  0.950540  0.291712  1
  Ti  Ti6  1  0.928748  0.688672  0.303296  1
  Ti  Ti7  1  0.353449  0.919451  0.311059  1
  Ti  Ti8  1  0.712676  0.683251  0.324052  1
  Ti  Ti9  1  0.039579  0.193636  0.292483  1
  Ti  Ti10  1  0.135884  0.925781  0.335095  1
  Ti  Ti11  1  0.503165  0.721688  0.348282  1
  Ti  Ti12  1  0.816225  0.431028  0.367136  1
  Ti  Ti13  1  0.288577  0.725192  0.369299  1
  Ti  Ti14  1  0.607165  0.215539  0.340373  1
  Ti  Ti15  1  0.920861  0.929442  0.355422  1
  Ti  Ti16  1  0.393555  0.226658  0.359334  1
  Ti  Ti17  1  0.710223  0.929929  0.378233  1
  Ti  Ti18  1  0.031738  0.424803  0.344553  1
  Ti  Ti19  1  0.180849  0.236299  0.381768  1
  Ti  Ti20  1  0.493832  0.948778  0.401260  1
  Ti  Ti21  1  0.859107  0.742136  0.415083  1
  Ti  Ti22  1  0.277183  0.950587  0.423519  1
  Ti  Ti23  1  0.599067  0.449652  0.391409  1
  Ti  Ti24  1  0.966444  0.237807  0.403640  1
  Ti  Ti25  1  0.383004  0.452439  0.412842  1
  Ti  Ti26  1  0.752036  0.246411  0.426046  1
  Ti  Ti27  1  0.073366  0.736394  0.392468  1
  Ti  Ti28  1  0.167519  0.456069  0.435422  1
  Ti  Ti29  1  0.537021  0.259010  0.449056  1
  Ti  Ti30  1  0.845332  0.962421  0.469109  1
  Ti  Ti31  1  0.321568  0.265005  0.471348  1
  Ti  Ti32  1  0.644743  0.757269  0.438245  1
  Ti  Ti33  1  0.952434  0.458894  0.457723  1
  Ti  Ti34  1  0.429404  0.763288  0.460364  1
  Ti  Ti35  1  0.737385  0.464970  0.480271  1
  Ti  Ti36  1  0.061208  0.956738  0.446481  1
  Ti  Ti37  1  0.214513  0.768793  0.482886  1
  Ti  Ti38  1  0.521883  0.474489  0.503077  1
  Ti  Ti39  1  0.890832  0.275825  0.516579  1
  Ti  Ti40  1  0.306650  0.480304  0.525688  1
  Ti  Ti41  1  0.629208  0.972012  0.492075  1
  Ti  Ti42  1  0.999301  0.772516  0.505298  1
  Ti  Ti43  1  0.413462  0.979031  0.514543  1
  Ti  Ti44  1  0.783509  0.778167  0.527561  1
  Ti  Ti45  1  0.106410  0.271009  0.494093  1
  Ti  Ti46  1  0.198162  0.984522  0.537214  1
  Ti  Ti47  1  0.567480  0.787597  0.550508  1
  Ti  Ti48  1  0.875929  0.490842  0.570566  1
  Ti  Ti49  1  0.351791  0.794801  0.573196  1
  Ti  Ti50  1  0.675049  0.285607  0.539449  1
  Ti  Ti51  1  0.982912  0.987388  0.559455  1
  Ti  Ti52  1  0.460095  0.293071  0.562104  1
  Ti  Ti53  1  0.767409  0.991793  0.581307  1
  Ti  Ti54  1  0.091613  0.485854  0.548389  1
  Ti  Ti55  1  0.245458  0.298442  0.584862  1
  Ti  Ti56  1  0.553057  1.008178  0.604435  1
  Ti  Ti57  1  0.917523  0.799820  0.618632  1
  Ti  Ti58  1  0.338256  0.013612  0.627100  1
  Ti  Ti59  1  0.661149  0.504989  0.593788  1
  Ti  Ti60  1  0.030613  0.298392  0.606812  1
  Ti  Ti61  1  0.447059  0.515231  0.616264  1
  Ti  Ti62  1  0.814870  0.297008  0.627744  1
  Ti  Ti63  1  0.135569  0.799471  0.596257  1
  Ti  Ti64  1  0.233508  0.521891  0.639227  1
  Ti  Ti65  1  0.599980  0.315753  0.651910  1
  Ti  Ti66  1  0.906041  0.031429  0.671286  1
  Ti  Ti67  1  0.386368  0.324756  0.673399  1
  Ti  Ti68  1  0.698978  0.822015  0.642289  1
  Ti  Ti69  1  0.021687  0.520380  0.660361  1
  Ti  Ti70  1  0.486704  0.826407  0.665234  1
  Ti  Ti71  1  0.809810  0.533413  0.678543  1
  Ti  Ti72  1  0.122457  0.025401  0.650040  1
  Ti  Ti73  1  0.271761  0.846141  0.687374  1
  Ti  Ti74  1  0.603485  0.564447  0.704802  1
  Ti  Ti75  1  0.939194  0.323865  0.718680  1
  Ti  Ti76  1  0.382466  0.553695  0.724334  1
  Ti  Ti77  1  0.696689  0.076227  0.696746  1
  Ti  Ti78  1  0.052852  0.832114  0.708025  1
  Ti  Ti79  1  0.477665  0.073249  0.717244  1
  Ti  Ti80  1  0.831969  0.797204  0.727636  1
  Ti  Ti81  1  0.169072  0.336632  0.698522  1
