# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.30670187
_cell_length_b   10.30859752
_cell_length_c   47.96896032
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti126
_cell_volume   5071.04192098
_cell_formula_units_Z   126
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  0.844195  0.177854  0.343012  1
  Ti  Ti2  1  0.290238  0.954248  0.283122  1
  Ti  Ti3  1  0.257717  0.236521  0.299428  1
  Ti  Ti4  1  0.620631  0.623855  0.283122  1
  Ti  Ti5  1  0.575605  0.909228  0.299280  1
  Ti  Ti6  1  0.543397  0.207147  0.318754  1
  Ti  Ti7  1  0.902907  0.591331  0.299431  1
  Ti  Ti8  1  0.873510  0.877029  0.318752  1
  Ti  Ti9  1  0.201092  0.534736  0.317582  1
  Ti  Ti10  1  0.019120  0.352738  0.324754  1
  Ti  Ti11  1  0.367666  0.030508  0.334237  1
  Ti  Ti12  1  0.435936  0.434603  0.290124  1
  Ti  Ti13  1  0.696861  0.701317  0.334237  1
  Ti  Ti14  1  0.767475  0.101097  0.291076  1
  Ti  Ti15  1  0.731143  0.386230  0.307633  1
  Ti  Ti16  1  0.100983  0.769561  0.290124  1
  Ti  Ti17  1  0.052611  0.064773  0.307640  1
  Ti  Ti18  1  0.386600  0.720231  0.309610  1
  Ti  Ti19  1  0.749623  0.083306  0.404015  1
  Ti  Ti20  1  0.179992  0.854562  0.341101  1
  Ti  Ti21  1  0.143531  0.154452  0.360449  1
  Ti  Ti22  1  0.520925  0.513633  0.341099  1
  Ti  Ti23  1  0.475949  0.809611  0.362414  1
  Ti  Ti24  1  0.451938  0.121473  0.384687  1
  Ti  Ti25  1  0.820794  0.477182  0.360442  1
  Ti  Ti26  1  0.787795  0.785613  0.384687  1
  Ti  Ti27  1  0.110991  0.444652  0.379274  1
  Ti  Ti28  1  0.932984  0.266672  0.394408  1
  Ti  Ti29  1  0.265747  0.940174  0.393227  1
  Ti  Ti30  1  0.335755  0.332370  0.351055  1
  Ti  Ti31  1  0.606503  0.599416  0.393224  1
  Ti  Ti32  1  0.660830  0.994479  0.351862  1
  Ti  Ti33  1  0.632150  0.299897  0.372175  1
  Ti  Ti34  1  0.998715  0.669411  0.351058  1
  Ti  Ti35  1  0.966226  0.965813  0.372173  1
  Ti  Ti36  1  0.293493  0.627148  0.370025  1
  Ti  Ti37  1  0.653414  0.987126  0.466259  1
  Ti  Ti38  1  0.086883  0.753000  0.403674  1
  Ti  Ti39  1  0.053278  0.053843  0.425177  1
  Ti  Ti40  1  0.419318  0.420560  0.403673  1
  Ti  Ti41  1  0.382860  0.716545  0.423073  1
  Ti  Ti42  1  0.354113  0.024473  0.445485  1
  Ti  Ti43  1  0.720147  0.386977  0.425180  1
  Ti  Ti44  1  0.690773  0.687814  0.445483  1
  Ti  Ti45  1  0.019276  0.352991  0.446803  1
  Ti  Ti46  1  0.836053  0.169764  0.456380  1
  Ti  Ti47  1  0.174331  0.839360  0.456363  1
  Ti  Ti48  1  0.231957  0.240096  0.413814  1
  Ti  Ti49  1  0.505650  0.508040  0.456364  1
  Ti  Ti50  1  0.566217  0.899909  0.414134  1
  Ti  Ti51  1  0.537638  0.207360  0.436261  1
  Ti  Ti52  1  0.906406  0.565640  0.413808  1
  Ti  Ti53  1  0.873661  0.871341  0.436260  1
  Ti  Ti54  1  0.199671  0.533365  0.433518  1
  Ti  Ti55  1  0.557899  0.891644  0.529385  1
  Ti  Ti56  1  0.992192  0.654760  0.466880  1
  Ti  Ti57  1  0.960145  0.957284  0.488262  1
  Ti  Ti58  1  0.321046  0.325912  0.466884  1
  Ti  Ti59  1  0.287807  0.621534  0.486987  1
  Ti  Ti60  1  0.261887  0.925851  0.509329  1
  Ti  Ti61  1  0.623555  0.293872  0.488264  1
  Ti  Ti62  1  0.592115  0.595626  0.509331  1
  Ti  Ti63  1  0.922941  0.256678  0.508306  1
  Ti  Ti64  1  0.740554  0.074292  0.518372  1
  Ti  Ti65  1  0.078847  0.742859  0.519831  1
  Ti  Ti66  1  0.141875  0.139933  0.477799  1
  Ti  Ti67  1  0.409114  0.412599  0.519835  1
  Ti  Ti68  1  0.470694  0.804408  0.476192  1
  Ti  Ti69  1  0.441813  0.109379  0.497904  1
  Ti  Ti70  1  0.806210  0.475603  0.477803  1
  Ti  Ti71  1  0.775652  0.775541  0.497904  1
  Ti  Ti72  1  0.106340  0.440086  0.499124  1
  Ti  Ti73  1  0.461646  0.795435  0.592834  1
  Ti  Ti74  1  0.892791  0.563651  0.530309  1
  Ti  Ti75  1  0.861166  0.863640  0.550179  1
  Ti  Ti76  1  0.229895  0.226543  0.530304  1
  Ti  Ti77  1  0.192338  0.526113  0.551603  1
  Ti  Ti78  1  0.165205  0.831746  0.572737  1
  Ti  Ti79  1  0.529882  0.194922  0.550177  1
  Ti  Ti80  1  0.497972  0.498983  0.572740  1
  Ti  Ti81  1  0.827645  0.161407  0.570622  1
  Ti  Ti82  1  0.645245  0.979025  0.582596  1
  Ti  Ti83  1  0.978250  0.652472  0.582891  1
  Ti  Ti84  1  0.046579  0.044458  0.540404  1
  Ti  Ti85  1  0.318685  0.312028  0.582885  1
  Ti  Ti86  1  0.374557  0.708313  0.540205  1
  Ti  Ti87  1  0.349517  0.013989  0.562498  1
  Ti  Ti88  1  0.710704  0.380331  0.540405  1
  Ti  Ti89  1  0.680220  0.683288  0.562501  1
  Ti  Ti90  1  0.008809  0.342572  0.560068  1
  Ti  Ti91  1  0.363195  0.697032  0.655940  1
  Ti  Ti92  1  0.797351  0.466320  0.592794  1
  Ti  Ti93  1  0.768185  0.772011  0.616252  1
  Ti  Ti94  1  0.132540  0.131138  0.592794  1
  Ti  Ti95  1  0.094418  0.428208  0.611268  1
  Ti  Ti96  1  0.065828  0.742584  0.635281  1
  Ti  Ti97  1  0.438204  0.101983  0.616250  1
  Ti  Ti98  1  0.408776  0.399635  0.635272  1
  Ti  Ti99  1  0.730427  0.064238  0.636243  1
  Ti  Ti100  1  0.545357  0.879172  0.645655  1
  Ti  Ti101  1  0.887271  0.552349  0.644871  1
  Ti  Ti102  1  0.945203  0.951590  0.602345  1
  Ti  Ti103  1  0.218537  0.221091  0.644873  1
  Ti  Ti104  1  0.278829  0.612633  0.603732  1
  Ti  Ti105  1  0.255048  0.919401  0.625587  1
  Ti  Ti106  1  0.617805  0.278981  0.602343  1
  Ti  Ti107  1  0.585598  0.588862  0.625590  1
  Ti  Ti108  1  0.914483  0.248276  0.623361  1
  Ti  Ti109  1  0.260233  0.594076  0.712473  1
  Ti  Ti110  1  0.705577  0.368297  0.653354  1
  Ti  Ti111  1  0.679829  0.676755  0.678351  1
  Ti  Ti112  1  0.034486  0.039392  0.653357  1
  Ti  Ti113  1  0.005031  0.338864  0.676706  1
  Ti  Ti114  1  0.978785  0.624955  0.697071  1
  Ti  Ti115  1  0.342919  0.013657  0.678348  1
  Ti  Ti116  1  0.291114  0.312628  0.697075  1
  Ti  Ti117  1  0.631592  0.965446  0.696544  1
  Ti  Ti118  1  0.446389  0.780240  0.706331  1
  Ti  Ti119  1  0.780999  0.443972  0.704949  1
  Ti  Ti120  1  0.863577  0.859813  0.670151  1
  Ti  Ti121  1  0.110131  0.114851  0.704951  1
  Ti  Ti122  1  0.182023  0.515829  0.661382  1
  Ti  Ti123  1  0.152514  0.832318  0.688199  1
  Ti  Ti124  1  0.525973  0.197413  0.670149  1
  Ti  Ti125  1  0.498471  0.486350  0.688191  1
  Ti  Ti126  1  0.821363  0.155204  0.688079  1
