# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.14716996
_cell_length_b   15.17483633
_cell_length_c   46.23680052
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.58641881
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti168
_cell_volume   6707.65561705
_cell_formula_units_Z   168
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  0.116327  0.552722  0.298248  1
  Ti  Ti2  1  0.616327  0.552722  0.298248  1
  Ti  Ti3  1  0.536647  0.897448  0.289539  1
  Ti  Ti4  1  0.699574  0.211206  0.307211  1
  Ti  Ti5  1  0.036647  0.897448  0.289539  1
  Ti  Ti6  1  0.199574  0.211206  0.307211  1
  Ti  Ti7  1  0.018971  0.711165  0.307203  1
  Ti  Ti8  1  0.518971  0.711165  0.307203  1
  Ti  Ti9  1  0.443780  0.052659  0.298243  1
  Ti  Ti10  1  0.868173  0.397500  0.289527  1
  Ti  Ti11  1  0.943780  0.052659  0.298243  1
  Ti  Ti12  1  0.368173  0.397500  0.289527  1
  Ti  Ti13  1  0.855782  0.531680  0.327674  1
  Ti  Ti14  1  0.355782  0.531680  0.327674  1
  Ti  Ti15  1  0.275082  0.869726  0.316464  1
  Ti  Ti16  1  0.437571  0.192414  0.337453  1
  Ti  Ti17  1  0.775082  0.869726  0.316464  1
  Ti  Ti18  1  0.937571  0.192414  0.337453  1
  Ti  Ti19  1  0.762246  0.692432  0.337451  1
  Ti  Ti20  1  0.262246  0.692432  0.337451  1
  Ti  Ti21  1  0.183276  0.031697  0.327668  1
  Ti  Ti22  1  0.601962  0.369730  0.316447  1
  Ti  Ti23  1  0.683276  0.031697  0.327668  1
  Ti  Ti24  1  0.101962  0.369730  0.316447  1
  Ti  Ti25  1  0.593962  0.509651  0.357808  1
  Ti  Ti26  1  0.093962  0.509651  0.357808  1
  Ti  Ti27  1  0.016173  0.850946  0.348183  1
  Ti  Ti28  1  0.173875  0.169919  0.368426  1
  Ti  Ti29  1  0.516173  0.850946  0.348183  1
  Ti  Ti30  1  0.673875  0.169919  0.368426  1
  Ti  Ti31  1  0.503433  0.669924  0.368419  1
  Ti  Ti32  1  1.003433  0.669924  0.368419  1
  Ti  Ti33  1  0.923065  0.009646  0.357804  1
  Ti  Ti34  1  0.342149  0.350947  0.348173  1
  Ti  Ti35  1  0.423065  0.009646  0.357804  1
  Ti  Ti36  1  0.842149  0.350947  0.348173  1
  Ti  Ti37  1  0.333013  0.489146  0.389835  1
  Ti  Ti38  1  0.833013  0.489146  0.389835  1
  Ti  Ti39  1  0.753759  0.829659  0.379130  1
  Ti  Ti40  1  0.912847  0.148424  0.399976  1
  Ti  Ti41  1  0.253759  0.829659  0.379130  1
  Ti  Ti42  1  0.412847  0.148424  0.399976  1
  Ti  Ti43  1  0.242976  0.648424  0.399969  1
  Ti  Ti44  1  0.742976  0.648424  0.399969  1
  Ti  Ti45  1  0.663532  0.989151  0.389829  1
  Ti  Ti46  1  0.083288  0.329665  0.379116  1
  Ti  Ti47  1  0.163532  0.989151  0.389829  1
  Ti  Ti48  1  0.583288  0.329665  0.379116  1
  Ti  Ti49  1  0.071963  0.467745  0.421101  1
  Ti  Ti50  1  0.571963  0.467745  0.421101  1
  Ti  Ti51  1  0.492404  0.807911  0.410716  1
  Ti  Ti52  1  0.651975  0.127424  0.431588  1
  Ti  Ti53  1  0.992404  0.807911  0.410716  1
  Ti  Ti54  1  0.151975  0.127424  0.431588  1
  Ti  Ti55  1  0.982864  0.627429  0.431581  1
  Ti  Ti56  1  0.482864  0.627429  0.431581  1
  Ti  Ti57  1  0.403191  0.967752  0.421095  1
  Ti  Ti58  1  0.822907  0.307917  0.410707  1
  Ti  Ti59  1  0.903191  0.967752  0.421095  1
  Ti  Ti60  1  0.322907  0.307917  0.410707  1
  Ti  Ti61  1  0.811305  0.446499  0.452587  1
  Ti  Ti62  1  0.311305  0.446499  0.452587  1
  Ti  Ti63  1  0.231767  0.786894  0.442055  1
  Ti  Ti64  1  0.391238  0.106170  0.462980  1
  Ti  Ti65  1  0.731767  0.786894  0.442055  1
  Ti  Ti66  1  0.891238  0.106170  0.462980  1
  Ti  Ti67  1  0.722357  0.606174  0.462972  1
  Ti  Ti68  1  0.222357  0.606174  0.462972  1
  Ti  Ti69  1  0.142616  0.946504  0.452580  1
  Ti  Ti70  1  0.562543  0.286899  0.442046  1
  Ti  Ti71  1  0.642616  0.946504  0.452580  1
  Ti  Ti72  1  0.062543  0.286899  0.442046  1
  Ti  Ti73  1  0.550730  0.425348  0.483969  1
  Ti  Ti74  1  0.050730  0.425348  0.483969  1
  Ti  Ti75  1  0.971058  0.765737  0.473552  1
  Ti  Ti76  1  0.130631  0.084969  0.494461  1
  Ti  Ti77  1  0.471058  0.765737  0.473552  1
  Ti  Ti78  1  0.630631  0.084969  0.494461  1
  Ti  Ti79  1  0.461775  0.584973  0.494453  1
  Ti  Ti80  1  0.961775  0.584973  0.494453  1
  Ti  Ti81  1  0.882051  0.925353  0.483962  1
  Ti  Ti82  1  0.302106  0.265742  0.473544  1
  Ti  Ti83  1  0.382051  0.925353  0.483962  1
  Ti  Ti84  1  0.802106  0.265742  0.473544  1
  Ti  Ti85  1  0.290154  0.404183  0.515436  1
  Ti  Ti86  1  0.790154  0.404183  0.515436  1
  Ti  Ti87  1  0.710430  0.744563  0.504945  1
  Ti  Ti88  1  0.870099  0.063795  0.525854  1
  Ti  Ti89  1  0.210430  0.744563  0.504945  1
  Ti  Ti90  1  0.370099  0.063795  0.525854  1
  Ti  Ti91  1  0.201147  0.563800  0.525846  1
  Ti  Ti92  1  0.701147  0.563800  0.525846  1
  Ti  Ti93  1  0.621475  0.904188  0.515430  1
  Ti  Ti94  1  0.041574  0.244568  0.504937  1
  Ti  Ti95  1  0.121475  0.904188  0.515430  1
  Ti  Ti96  1  0.541574  0.244568  0.504937  1
  Ti  Ti97  1  0.029589  0.383033  0.546818  1
  Ti  Ti98  1  0.529589  0.383033  0.546818  1
  Ti  Ti99  1  0.449848  0.723363  0.536426  1
  Ti  Ti100  1  0.609662  0.042637  0.557352  1
  Ti  Ti101  1  0.949848  0.723363  0.536426  1
  Ti  Ti102  1  0.109662  0.042637  0.557352  1
  Ti  Ti103  1  0.940438  0.542642  0.557343  1
  Ti  Ti104  1  0.440438  0.542642  0.557343  1
  Ti  Ti105  1  0.360900  0.883037  0.546811  1
  Ti  Ti106  1  0.780967  0.223366  0.536418  1
  Ti  Ti107  1  0.860900  0.883037  0.546811  1
  Ti  Ti108  1  0.280967  0.223366  0.536418  1
  Ti  Ti109  1  0.769013  0.361784  0.578303  1
  Ti  Ti110  1  0.269013  0.361784  0.578303  1
  Ti  Ti111  1  0.189341  0.702108  0.567817  1
  Ti  Ti112  1  0.349298  0.021620  0.588691  1
  Ti  Ti113  1  0.689341  0.702108  0.567817  1
  Ti  Ti114  1  0.849298  0.021620  0.588691  1
  Ti  Ti115  1  0.679801  0.521625  0.588682  1
  Ti  Ti116  1  0.179801  0.521625  0.588682  1
  Ti  Ti117  1  0.100242  0.861792  0.578298  1
  Ti  Ti118  1  0.520230  0.202112  0.567810  1
  Ti  Ti119  1  0.600242  0.861792  0.578298  1
  Ti  Ti120  1  0.020230  0.202112  0.567810  1
  Ti  Ti121  1  0.508673  0.340386  0.609569  1
  Ti  Ti122  1  0.008673  0.340386  0.609569  1
  Ti  Ti123  1  0.929229  0.681113  0.599429  1
  Ti  Ti124  1  0.088917  0.999872  0.620282  1
  Ti  Ti125  1  0.429229  0.681113  0.599429  1
  Ti  Ti126  1  0.588917  0.999872  0.620282  1
  Ti  Ti127  1  0.418446  0.499878  0.620268  1
  Ti  Ti128  1  0.918446  0.499878  0.620268  1
  Ti  Ti129  1  0.839192  0.840390  0.609563  1
  Ti  Ti130  1  0.259358  0.181112  0.599422  1
  Ti  Ti131  1  0.339192  0.840390  0.609563  1
  Ti  Ti132  1  0.759358  0.181112  0.599422  1
  Ti  Ti133  1  0.249140  0.319891  0.641594  1
  Ti  Ti134  1  0.749140  0.319891  0.641594  1
  Ti  Ti135  1  0.668772  0.659613  0.630979  1
  Ti  Ti136  1  0.830055  0.978590  0.651225  1
  Ti  Ti137  1  0.168772  0.659613  0.630979  1
  Ti  Ti138  1  0.330055  0.978590  0.651225  1
  Ti  Ti139  1  0.156032  0.478591  0.651215  1
  Ti  Ti140  1  0.656032  0.478591  0.651215  1
  Ti  Ti141  1  0.578243  0.819886  0.641590  1
  Ti  Ti142  1  0.998330  0.159617  0.630972  1
  Ti  Ti143  1  0.078243  0.819886  0.641590  1
  Ti  Ti144  1  0.498330  0.159617  0.630972  1
  Ti  Ti145  1  0.988929  0.297840  0.671730  1
  Ti  Ti146  1  0.488929  0.297840  0.671730  1
  Ti  Ti147  1  0.409959  0.637105  0.661947  1
  Ti  Ti148  1  0.570243  0.959807  0.682951  1
  Ti  Ti149  1  0.909959  0.637105  0.661947  1
  Ti  Ti150  1  0.070243  0.959807  0.682951  1
  Ti  Ti151  1  0.897122  0.459810  0.682934  1
  Ti  Ti152  1  0.397122  0.459810  0.682934  1
  Ti  Ti153  1  0.316423  0.797857  0.671724  1
  Ti  Ti154  1  0.734634  0.137123  0.661945  1
  Ti  Ti155  1  0.816423  0.797857  0.671724  1
  Ti  Ti156  1  0.234634  0.137123  0.661945  1
  Ti  Ti157  1  0.728424  0.276878  0.701156  1
  Ti  Ti158  1  0.228424  0.276878  0.701156  1
  Ti  Ti159  1  0.153233  0.618371  0.692195  1
  Ti  Ti160  1  0.304032  0.932037  0.709872  1
  Ti  Ti161  1  0.653233  0.618371  0.692195  1
  Ti  Ti162  1  0.804032  0.932037  0.709872  1
  Ti  Ti163  1  0.635557  0.432089  0.709859  1
  Ti  Ti164  1  0.135557  0.432089  0.709859  1
  Ti  Ti165  1  0.055878  0.776815  0.701150  1
  Ti  Ti166  1  0.472631  0.118331  0.692187  1
  Ti  Ti167  1  0.555878  0.776815  0.701150  1
  Ti  Ti168  1  0.972631  0.118331  0.692187  1
