# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.80726028
_cell_length_b   11.03411855
_cell_length_c   47.64311458
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.66747460
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti156
_cell_volume   6085.34898489
_cell_formula_units_Z   156
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  0.542259  0.112285  0.292576  1
  Ti  Ti2  1  0.928179  0.135733  0.281412  1
  Ti  Ti3  1  0.151416  0.091543  0.301108  1
  Ti  Ti4  1  0.542259  0.612285  0.292576  1
  Ti  Ti5  1  0.928179  0.635733  0.281412  1
  Ti  Ti6  1  0.151416  0.591543  0.301108  1
  Ti  Ti7  1  0.323949  0.320528  0.309956  1
  Ti  Ti8  1  0.712148  0.342594  0.299495  1
  Ti  Ti9  1  0.097089  0.367997  0.289417  1
  Ti  Ti10  1  0.323949  0.820528  0.309956  1
  Ti  Ti11  1  0.712148  0.842594  0.299495  1
  Ti  Ti12  1  0.097089  0.867997  0.289417  1
  Ti  Ti13  1  0.379737  0.047757  0.322245  1
  Ti  Ti14  1  0.769258  0.066253  0.311338  1
  Ti  Ti15  1  0.992501  0.030596  0.335460  1
  Ti  Ti16  1  0.379737  0.547757  0.322245  1
  Ti  Ti17  1  0.769258  0.566253  0.311338  1
  Ti  Ti18  1  0.992501  0.530596  0.335460  1
  Ti  Ti19  1  0.166113  0.261359  0.344568  1
  Ti  Ti20  1  0.552047  0.284601  0.332666  1
  Ti  Ti21  1  0.939454  0.305050  0.321772  1
  Ti  Ti22  1  0.166113  0.761359  0.344568  1
  Ti  Ti23  1  0.552047  0.784601  0.332666  1
  Ti  Ti24  1  0.939454  0.805050  0.321772  1
  Ti  Ti25  1  0.218659  0.986976  0.357096  1
  Ti  Ti26  1  0.605899  0.009852  0.346359  1
  Ti  Ti27  1  0.830281  0.966992  0.369261  1
  Ti  Ti28  1  0.218659  0.486976  0.357096  1
  Ti  Ti29  1  0.605899  0.509852  0.346359  1
  Ti  Ti30  1  0.830281  0.466992  0.369261  1
  Ti  Ti31  1  0.006329  0.200130  0.379117  1
  Ti  Ti32  1  0.393407  0.219259  0.366499  1
  Ti  Ti33  1  0.779029  0.240709  0.355116  1
  Ti  Ti34  1  0.006329  0.700130  0.379117  1
  Ti  Ti35  1  0.393407  0.719259  0.366499  1
  Ti  Ti36  1  0.779029  0.740709  0.355116  1
  Ti  Ti37  1  0.056453  0.925826  0.392559  1
  Ti  Ti38  1  0.443120  0.946586  0.380291  1
  Ti  Ti39  1  0.669150  0.904982  0.403808  1
  Ti  Ti40  1  0.056453  0.425826  0.392559  1
  Ti  Ti41  1  0.443120  0.446586  0.380291  1
  Ti  Ti42  1  0.669150  0.404982  0.403808  1
  Ti  Ti43  1  0.845191  0.138095  0.413472  1
  Ti  Ti44  1  0.232762  0.157849  0.401951  1
  Ti  Ti45  1  0.618892  0.180022  0.390338  1
  Ti  Ti46  1  0.845191  0.638095  0.413472  1
  Ti  Ti47  1  0.232762  0.657849  0.401951  1
  Ti  Ti48  1  0.618892  0.680022  0.390338  1
  Ti  Ti49  1  0.894683  0.864082  0.427126  1
  Ti  Ti50  1  0.282373  0.883939  0.415099  1
  Ti  Ti51  1  0.507506  0.843463  0.438442  1
  Ti  Ti52  1  0.894683  0.364082  0.427126  1
  Ti  Ti53  1  0.282373  0.383939  0.415099  1
  Ti  Ti54  1  0.507506  0.343463  0.438442  1
  Ti  Ti55  1  0.683950  0.076190  0.448164  1
  Ti  Ti56  1  0.071419  0.096640  0.436773  1
  Ti  Ti57  1  0.458353  0.117039  0.424854  1
  Ti  Ti58  1  0.683950  0.576190  0.448164  1
  Ti  Ti59  1  0.071419  0.596640  0.436773  1
  Ti  Ti60  1  0.458353  0.617039  0.424854  1
  Ti  Ti61  1  0.733305  0.802073  0.461670  1
  Ti  Ti62  1  0.120734  0.822634  0.450106  1
  Ti  Ti63  1  0.346326  0.781261  0.473079  1
  Ti  Ti64  1  0.733305  0.302073  0.461670  1
  Ti  Ti65  1  0.120734  0.322634  0.450106  1
  Ti  Ti66  1  0.346326  0.281261  0.473079  1
  Ti  Ti67  1  0.522765  0.014212  0.482827  1
  Ti  Ti68  1  0.909911  0.034989  0.471380  1
  Ti  Ti69  1  0.297118  0.055094  0.459706  1
  Ti  Ti70  1  0.522765  0.514212  0.482827  1
  Ti  Ti71  1  0.909911  0.534989  0.471380  1
  Ti  Ti72  1  0.297118  0.555094  0.459706  1
  Ti  Ti73  1  0.571980  0.740238  0.496326  1
  Ti  Ti74  1  0.959102  0.761046  0.484856  1
  Ti  Ti75  1  0.184863  0.719665  0.507842  1
  Ti  Ti76  1  0.571980  0.240238  0.496326  1
  Ti  Ti77  1  0.959102  0.261046  0.484856  1
  Ti  Ti78  1  0.184863  0.219665  0.507842  1
  Ti  Ti79  1  0.361423  0.952220  0.517500  1
  Ti  Ti80  1  0.748545  0.973028  0.506030  1
  Ti  Ti81  1  0.135663  0.993601  0.494514  1
  Ti  Ti82  1  0.361423  0.452220  0.517500  1
  Ti  Ti83  1  0.748545  0.473028  0.506030  1
  Ti  Ti84  1  0.135663  0.493601  0.494514  1
  Ti  Ti85  1  0.410614  0.678278  0.530976  1
  Ti  Ti86  1  0.797760  0.699055  0.519530  1
  Ti  Ti87  1  0.023407  0.658173  0.542651  1
  Ti  Ti88  1  0.410614  0.178278  0.530976  1
  Ti  Ti89  1  0.797760  0.199055  0.519530  1
  Ti  Ti90  1  0.023407  0.158173  0.542651  1
  Ti  Ti91  1  0.199791  0.890632  0.552250  1
  Ti  Ti92  1  0.587220  0.911193  0.540686  1
  Ti  Ti93  1  0.974200  0.932005  0.529277  1
  Ti  Ti94  1  0.199791  0.390632  0.552250  1
  Ti  Ti95  1  0.587220  0.411193  0.540686  1
  Ti  Ti96  1  0.974200  0.432005  0.529277  1
  Ti  Ti97  1  0.249106  0.616626  0.565584  1
  Ti  Ti98  1  0.636576  0.637076  0.554192  1
  Ti  Ti99  1  0.862173  0.596227  0.577502  1
  Ti  Ti100  1  0.249106  0.116626  0.565584  1
  Ti  Ti101  1  0.636576  0.137076  0.554192  1
  Ti  Ti102  1  0.862173  0.096227  0.577502  1
  Ti  Ti103  1  0.038152  0.829327  0.587257  1
  Ti  Ti104  1  0.425842  0.849185  0.575230  1
  Ti  Ti105  1  0.813019  0.869804  0.563914  1
  Ti  Ti106  1  0.038152  0.329327  0.587257  1
  Ti  Ti107  1  0.425842  0.349185  0.575230  1
  Ti  Ti108  1  0.813019  0.369804  0.563914  1
  Ti  Ti109  1  0.087763  0.555417  0.600405  1
  Ti  Ti110  1  0.475335  0.575172  0.588884  1
  Ti  Ti111  1  0.701633  0.533244  0.612018  1
  Ti  Ti112  1  0.087763  0.055417  0.600405  1
  Ti  Ti113  1  0.475335  0.075172  0.588884  1
  Ti  Ti114  1  0.701633  0.033244  0.612018  1
  Ti  Ti115  1  0.877406  0.766680  0.622066  1
  Ti  Ti116  1  0.264072  0.787440  0.609797  1
  Ti  Ti117  1  0.651375  0.808284  0.598548  1
  Ti  Ti118  1  0.877406  0.266680  0.622066  1
  Ti  Ti119  1  0.264072  0.287440  0.609797  1
  Ti  Ti120  1  0.651375  0.308284  0.598548  1
  Ti  Ti121  1  0.927119  0.494007  0.635857  1
  Ti  Ti122  1  0.314196  0.513137  0.623240  1
  Ti  Ti123  1  0.541496  0.472557  0.647240  1
  Ti  Ti124  1  0.927119  0.994007  0.635857  1
  Ti  Ti125  1  0.314196  0.013137  0.623240  1
  Ti  Ti126  1  0.541496  0.972557  0.647240  1
  Ti  Ti127  1  0.714627  0.703414  0.655997  1
  Ti  Ti128  1  0.101866  0.726290  0.645261  1
  Ti  Ti129  1  0.490244  0.746274  0.633096  1
  Ti  Ti130  1  0.714627  0.203414  0.655997  1
  Ti  Ti131  1  0.101866  0.226290  0.645261  1
  Ti  Ti132  1  0.490244  0.246274  0.633096  1
  Ti  Ti133  1  0.768478  0.428665  0.669691  1
  Ti  Ti134  1  0.154413  0.451907  0.657788  1
  Ti  Ti135  1  0.381072  0.408216  0.680585  1
  Ti  Ti136  1  0.768478  0.928665  0.669691  1
  Ti  Ti137  1  0.154413  0.951907  0.657788  1
  Ti  Ti138  1  0.381072  0.908216  0.680585  1
  Ti  Ti139  1  0.551267  0.647013  0.691018  1
  Ti  Ti140  1  0.940788  0.665509  0.680112  1
  Ti  Ti141  1  0.328024  0.682671  0.666897  1
  Ti  Ti142  1  0.551267  0.147013  0.691018  1
  Ti  Ti143  1  0.940788  0.165509  0.680112  1
  Ti  Ti144  1  0.328024  0.182671  0.666897  1
  Ti  Ti145  1  0.608377  0.370672  0.702862  1
  Ti  Ti146  1  0.996577  0.392738  0.692400  1
  Ti  Ti147  1  0.223436  0.345269  0.712939  1
  Ti  Ti148  1  0.608377  0.870672  0.702862  1
  Ti  Ti149  1  0.996577  0.892738  0.692400  1
  Ti  Ti150  1  0.223436  0.845269  0.712939  1
  Ti  Ti151  1  0.392346  0.577533  0.720945  1
  Ti  Ti152  1  0.778267  0.600981  0.709780  1
  Ti  Ti153  1  0.169109  0.621723  0.701248  1
  Ti  Ti154  1  0.392346  0.077533  0.720945  1
  Ti  Ti155  1  0.778267  0.100981  0.709780  1
  Ti  Ti156  1  0.169109  0.121723  0.701248  1
