# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47055729
_cell_length_b   14.53939497
_cell_length_c   46.36375796
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.98089858
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti180
_cell_volume   6989.19510697
_cell_formula_units_Z   180
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  0.316269  0.607979  0.297656  1
  Ti  Ti2  1  0.649603  0.274646  0.297656  1
  Ti  Ti3  1  0.584632  0.606139  0.312568  1
  Ti  Ti4  1  0.982936  0.941313  0.297656  1
  Ti  Ti5  1  0.917965  0.272806  0.312568  1
  Ti  Ti6  1  0.042344  0.617897  0.285019  1
  Ti  Ti7  1  0.251299  0.939472  0.312568  1
  Ti  Ti8  1  0.375677  0.284564  0.285019  1
  Ti  Ti9  1  0.709011  0.951231  0.285019  1
  Ti  Ti10  1  0.319071  0.788967  0.275462  1
  Ti  Ti11  1  0.652405  0.455633  0.275462  1
  Ti  Ti12  1  0.583893  0.785170  0.287384  1
  Ti  Ti13  1  0.985738  0.122300  0.275462  1
  Ti  Ti14  1  0.917226  0.451836  0.287384  1
  Ti  Ti15  1  0.854475  0.774279  0.300619  1
  Ti  Ti16  1  0.250560  0.118503  0.287384  1
  Ti  Ti17  1  0.187808  0.440946  0.300619  1
  Ti  Ti18  1  0.521142  0.107613  0.300619  1
  Ti  Ti19  1  0.125868  0.588176  0.343561  1
  Ti  Ti20  1  0.459202  0.254842  0.343561  1
  Ti  Ti21  1  0.395958  0.581409  0.358595  1
  Ti  Ti22  1  0.792535  0.921509  0.343561  1
  Ti  Ti23  1  0.729292  0.248076  0.358595  1
  Ti  Ti24  1  0.851712  0.596762  0.328170  1
  Ti  Ti25  1  0.062625  0.914742  0.358595  1
  Ti  Ti26  1  0.185046  0.263429  0.328170  1
  Ti  Ti27  1  0.518379  0.930096  0.328170  1
  Ti  Ti28  1  0.126550  0.767849  0.316618  1
  Ti  Ti29  1  0.459883  0.434515  0.316618  1
  Ti  Ti30  1  0.396738  0.760983  0.332799  1
  Ti  Ti31  1  0.793216  0.101182  0.316618  1
  Ti  Ti32  1  0.730071  0.427650  0.332799  1
  Ti  Ti33  1  0.667389  0.755532  0.346900  1
  Ti  Ti34  1  0.063405  0.094317  0.332799  1
  Ti  Ti35  1  1.000723  0.422199  0.346900  1
  Ti  Ti36  1  0.334056  0.088866  0.346900  1
  Ti  Ti37  1  0.935972  0.567932  0.389116  1
  Ti  Ti38  1  0.269305  0.234599  0.389116  1
  Ti  Ti39  1  0.207347  0.559977  0.404319  1
  Ti  Ti40  1  0.602638  0.901265  0.389116  1
  Ti  Ti41  1  0.540681  0.226644  0.404319  1
  Ti  Ti42  1  0.664969  0.575505  0.373950  1
  Ti  Ti43  1  0.874014  0.893310  0.404319  1
  Ti  Ti44  1  0.998302  0.242172  0.373950  1
  Ti  Ti45  1  0.331636  0.908839  0.373950  1
  Ti  Ti46  1  0.938341  0.746433  0.361515  1
  Ti  Ti47  1  0.271674  0.413099  0.361515  1
  Ti  Ti48  1  0.208229  0.739491  0.377277  1
  Ti  Ti49  1  0.605008  0.079766  0.361515  1
  Ti  Ti50  1  0.541562  0.406158  0.377277  1
  Ti  Ti51  1  0.479081  0.732993  0.392611  1
  Ti  Ti52  1  0.874896  0.072824  0.377277  1
  Ti  Ti53  1  0.812414  0.399660  0.392611  1
  Ti  Ti54  1  0.145747  0.066326  0.392611  1
  Ti  Ti55  1  0.748138  0.546371  0.434892  1
  Ti  Ti56  1  0.081471  0.213038  0.434892  1
  Ti  Ti57  1  0.018989  0.538999  0.450053  1
  Ti  Ti58  1  0.414804  0.879704  0.434892  1
  Ti  Ti59  1  0.352323  0.205665  0.450053  1
  Ti  Ti60  1  0.477625  0.553214  0.419664  1
  Ti  Ti61  1  0.685656  0.872332  0.450053  1
  Ti  Ti62  1  0.810958  0.219881  0.419664  1
  Ti  Ti63  1  0.144292  0.886548  0.419664  1
  Ti  Ti64  1  0.749978  0.725854  0.407483  1
  Ti  Ti65  1  0.083312  0.392521  0.407483  1
  Ti  Ti66  1  0.020475  0.718299  0.422692  1
  Ti  Ti67  1  0.416645  0.059188  0.407483  1
  Ti  Ti68  1  0.353809  0.384965  0.422692  1
  Ti  Ti69  1  0.290973  0.711215  0.438027  1
  Ti  Ti70  1  0.687142  0.051632  0.422692  1
  Ti  Ti71  1  0.624306  0.377882  0.438027  1
  Ti  Ti72  1  0.957639  0.044549  0.438027  1
  Ti  Ti73  1  0.560277  0.524672  0.480557  1
  Ti  Ti74  1  0.893610  0.191339  0.480557  1
  Ti  Ti75  1  0.831014  0.517615  0.495753  1
  Ti  Ti76  1  0.226944  0.858006  0.480557  1
  Ti  Ti77  1  0.164347  0.184281  0.495753  1
  Ti  Ti78  1  0.289657  0.531726  0.465299  1
  Ti  Ti79  1  0.497680  0.850948  0.495753  1
  Ti  Ti80  1  0.622990  0.198393  0.465299  1
  Ti  Ti81  1  0.956324  0.865059  0.465299  1
  Ti  Ti82  1  0.561806  0.704286  0.453221  1
  Ti  Ti83  1  0.895139  0.370952  0.453221  1
  Ti  Ti84  1  0.832523  0.697110  0.468379  1
  Ti  Ti85  1  0.228473  0.037619  0.453221  1
  Ti  Ti86  1  0.165856  0.363777  0.468379  1
  Ti  Ti87  1  0.103118  0.689873  0.483623  1
  Ti  Ti88  1  0.499189  0.030443  0.468379  1
  Ti  Ti89  1  0.436451  0.356539  0.483623  1
  Ti  Ti90  1  0.769784  0.023206  0.483623  1
  Ti  Ti91  1  0.372293  0.503209  0.526214  1
  Ti  Ti92  1  0.705627  0.169876  0.526214  1
  Ti  Ti93  1  0.643010  0.496033  0.541372  1
  Ti  Ti94  1  0.038960  0.836542  0.526214  1
  Ti  Ti95  1  0.976343  0.162700  0.541372  1
  Ti  Ti96  1  0.101698  0.510446  0.510969  1
  Ti  Ti97  1  0.309677  0.829367  0.541372  1
  Ti  Ti98  1  0.435032  0.177113  0.510969  1
  Ti  Ti99  1  0.768365  0.843780  0.510969  1
  Ti  Ti100  1  0.373802  0.682704  0.498840  1
  Ti  Ti101  1  0.707136  0.349371  0.498840  1
  Ti  Ti102  1  0.644539  0.675647  0.514036  1
  Ti  Ti103  1  0.040469  0.016038  0.498840  1
  Ti  Ti104  1  0.977872  0.342313  0.514036  1
  Ti  Ti105  1  0.915159  0.668593  0.529294  1
  Ti  Ti106  1  0.311206  0.008980  0.514036  1
  Ti  Ti107  1  0.248492  0.335260  0.529294  1
  Ti  Ti108  1  0.581826  1.001926  0.529294  1
  Ti  Ti109  1  0.184341  0.482020  0.571901  1
  Ti  Ti110  1  0.517674  0.148687  0.571901  1
  Ti  Ti111  1  0.454838  0.474464  0.587110  1
  Ti  Ti112  1  0.851007  0.815354  0.571901  1
  Ti  Ti113  1  0.788171  0.141131  0.587110  1
  Ti  Ti114  1  0.913843  0.489104  0.556565  1
  Ti  Ti115  1  0.121504  0.807798  0.587110  1
  Ti  Ti116  1  0.247177  0.155770  0.556565  1
  Ti  Ti117  1  0.580510  0.822437  0.556565  1
  Ti  Ti118  1  0.185827  0.661320  0.544539  1
  Ti  Ti119  1  0.519160  0.327987  0.544539  1
  Ti  Ti120  1  0.456678  0.653948  0.559700  1
  Ti  Ti121  1  0.852493  0.994654  0.544539  1
  Ti  Ti122  1  0.790012  0.320615  0.559700  1
  Ti  Ti123  1  0.727191  0.647105  0.574929  1
  Ti  Ti124  1  0.123345  0.987281  0.559700  1
  Ti  Ti125  1  0.060524  0.313771  0.574929  1
  Ti  Ti126  1  0.393858  0.980438  0.574929  1
  Ti  Ti127  1  0.996587  0.460828  0.617316  1
  Ti  Ti128  1  0.329920  0.127495  0.617316  1
  Ti  Ti129  1  0.266475  0.453886  0.633078  1
  Ti  Ti130  1  0.663254  0.794161  0.617316  1
  Ti  Ti131  1  0.599808  0.120553  0.633078  1
  Ti  Ti132  1  0.725735  0.467326  0.601982  1
  Ti  Ti133  1  0.933142  0.787219  0.633078  1
  Ti  Ti134  1  0.059069  0.133993  0.601982  1
  Ti  Ti135  1  0.392402  0.800659  0.601982  1
  Ti  Ti136  1  0.997469  0.640342  0.590274  1
  Ti  Ti137  1  0.330802  0.307008  0.590274  1
  Ti  Ti138  1  0.268844  0.632387  0.605476  1
  Ti  Ti139  1  0.664136  0.973675  0.590274  1
  Ti  Ti140  1  0.602178  0.299054  0.605476  1
  Ti  Ti141  1  0.539847  0.624813  0.620643  1
  Ti  Ti142  1  0.935511  0.965720  0.605476  1
  Ti  Ti143  1  0.873180  0.291480  0.620643  1
  Ti  Ti144  1  0.206514  0.958147  0.620643  1
  Ti  Ti145  1  0.808078  0.439336  0.661794  1
  Ti  Ti146  1  0.141412  0.106002  0.661794  1
  Ti  Ti147  1  0.078266  0.432470  0.677974  1
  Ti  Ti148  1  0.474745  0.772669  0.661794  1
  Ti  Ti149  1  0.411600  0.099137  0.677974  1
  Ti  Ti150  1  0.537427  0.444786  0.647692  1
  Ti  Ti151  1  0.744933  0.765804  0.677974  1
  Ti  Ti152  1  0.870760  0.111453  0.647692  1
  Ti  Ti153  1  0.204093  0.778120  0.647692  1
  Ti  Ti154  1  0.808858  0.618910  0.635997  1
  Ti  Ti155  1  0.142191  0.285576  0.635997  1
  Ti  Ti156  1  0.078948  0.612143  0.651032  1
  Ti  Ti157  1  0.475524  0.952243  0.635997  1
  Ti  Ti158  1  0.412281  0.278810  0.651032  1
  Ti  Ti159  1  0.353104  0.603556  0.666422  1
  Ti  Ti160  1  0.745614  0.945477  0.651032  1
  Ti  Ti161  1  0.686437  0.270223  0.666422  1
  Ti  Ti162  1  0.019770  0.936890  0.666422  1
  Ti  Ti163  1  0.620923  0.415149  0.707208  1
  Ti  Ti164  1  0.954256  0.081816  0.707208  1
  Ti  Ti165  1  0.885745  0.411352  0.719131  1
  Ti  Ti166  1  0.287590  0.748482  0.707208  1
  Ti  Ti167  1  0.219078  0.078019  0.719131  1
  Ti  Ti168  1  0.350341  0.426039  0.693973  1
  Ti  Ti169  1  0.552412  0.744686  0.719131  1
  Ti  Ti170  1  0.683674  0.092706  0.693973  1
  Ti  Ti171  1  0.017008  0.759373  0.693973  1
  Ti  Ti172  1  0.620184  0.594180  0.682025  1
  Ti  Ti173  1  0.953517  0.260846  0.682025  1
  Ti  Ti174  1  0.888547  0.592339  0.696937  1
  Ti  Ti175  1  0.286851  0.927513  0.682025  1
  Ti  Ti176  1  0.221880  0.259006  0.696937  1
  Ti  Ti177  1  0.162472  0.582421  0.709574  1
  Ti  Ti178  1  0.555213  0.925673  0.696937  1
  Ti  Ti179  1  0.495806  0.249088  0.709574  1
  Ti  Ti180  1  0.829139  0.915755  0.709574  1
