# generated using pymatgen
data_Ti191Nb64
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.33350507
_cell_length_b   18.28228203
_cell_length_c   14.36394033
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti191Nb64
_chemical_formula_sum   'Ti191 Nb64'
_cell_volume   4814.48124766
_cell_formula_units_Z   1
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  0.946737  0.067659  0.480662  1
  Ti  Ti2  1  -0.013746  0.084960  0.678022  1
  Ti  Ti3  1  -0.015613  0.053446  0.899457  1
  Ti  Ti4  1  -0.050333  0.274963  0.170350  1
  Ti  Ti5  1  -0.009734  0.242867  0.376565  1
  Ti  Ti6  1  0.902647  0.429940  0.783408  1
  Ti  Ti7  1  0.938989  0.274047  0.970381  1
  Ti  Ti8  1  0.944049  0.597790  0.190512  1
  Ti  Ti9  1  0.941696  0.554956  0.383596  1
  Ti  Ti10  1  -0.028032  0.605259  0.677419  1
  Ti  Ti11  1  -0.033312  0.579400  1.001451  1
  Ti  Ti12  1  0.928362  0.827062  0.220641  1
  Ti  Ti13  1  0.918348  0.900680  0.385564  1
  Ti  Ti14  1  -0.029807  0.722580  0.812260  1
  Ti  Ti15  1  0.914815  0.886964  0.936265  1
  Ti  Ti16  1  0.153338  0.090171  0.178948  1
  Ti  Ti17  1  0.359580  0.084216  0.365941  1
  Ti  Ti18  1  0.178133  0.070166  0.690639  1
  Ti  Ti19  1  0.343634  0.115577  0.835277  1
  Ti  Ti20  1  0.201942  0.213609  0.100239  1
  Ti  Ti21  1  0.179071  0.394069  0.492329  1
  Ti  Ti22  1  0.194800  0.309922  0.661511  1
  Ti  Ti23  1  0.172697  0.331415  0.964470  1
  Ti  Ti24  1  0.157530  0.503840  0.384172  1
  Ti  Ti25  1  0.225939  0.606725  0.445286  1
  Ti  Ti26  1  0.308797  0.647975  0.866024  1
  Ti  Ti27  1  0.195312  0.583465  0.972406  1
  Ti  Ti28  1  0.182076  0.911521  0.093826  1
  Ti  Ti29  1  0.253881  0.734664  0.528309  1
  Ti  Ti30  1  0.175868  0.821821  0.625929  1
  Ti  Ti31  1  0.137823  0.780372  1.019191  1
  Ti  Ti32  1  0.407950  0.110574  0.989064  1
  Ti  Ti33  1  0.452384  0.143592  0.467258  1
  Ti  Ti34  1  0.427497  0.047926  0.581935  1
  Ti  Ti35  1  0.438663  0.018591  0.862366  1
  Ti  Ti36  1  0.446738  0.384037  0.274975  1
  Ti  Ti37  1  0.477824  0.257772  0.368683  1
  Ti  Ti38  1  0.406108  0.448427  0.761519  1
  Ti  Ti39  1  0.423875  0.328939  0.854397  1
  Ti  Ti40  1  0.425838  0.512274  0.276560  1
  Ti  Ti41  1  0.460859  0.604599  0.620669  1
  Ti  Ti42  1  0.373703  0.587100  0.736945  1
  Ti  Ti43  1  0.481765  0.571728  0.165508  1
  Ti  Ti44  1  0.479135  0.781209  0.247707  1
  Ti  Ti45  1  0.402887  0.877855  0.371916  1
  Ti  Ti46  1  0.471270  0.701571  0.767032  1
  Ti  Ti47  1  0.418241  0.851978  0.932431  1
  Ti  Ti48  1  0.687776  0.100533  0.215193  1
  Ti  Ti49  1  0.535174  0.054913  0.393175  1
  Ti  Ti50  1  0.704733  0.082197  0.666843  1
  Ti  Ti51  1  0.535853  0.086846  0.963072  1
  Ti  Ti52  1  0.653206  0.256913  0.207467  1
  Ti  Ti53  1  0.674810  0.420912  0.513491  1
  Ti  Ti54  1  0.716666  0.314598  0.723200  1
  Ti  Ti55  1  0.668991  0.392661  0.884393  1
  Ti  Ti56  1  0.711888  0.563779  0.208668  1
  Ti  Ti57  1  0.695945  0.573933  0.403562  1
  Ti  Ti58  1  0.527778  0.557243  0.726196  1
  Ti  Ti59  1  0.712406  0.585829  0.995102  1
  Ti  Ti60  1  0.664029  0.895103  0.108216  1
  Ti  Ti61  1  0.782179  0.816603  0.504829  1
  Ti  Ti62  1  0.650894  0.828089  0.745079  1
  Ti  Ti63  1  0.708084  0.808048  0.940747  1
  Ti  Ti64  1  0.112900  -0.037613  0.226223  1
  Ti  Ti65  1  0.032517  0.949035  0.441594  1
  Ti  Ti66  1  0.122001  0.941131  0.661353  1
  Ti  Ti67  1  0.048466  0.920768  0.957130  1
  Ti  Ti68  1  0.085691  0.212079  0.198361  1
  Ti  Ti69  1  0.031773  0.176089  0.511244  1
  Ti  Ti70  1  0.146343  0.189009  0.618639  1
  Ti  Ti71  1  0.031686  0.163894  1.024245  1
  Ti  Ti72  1  0.045351  0.550601  0.275896  1
  Ti  Ti73  1  0.051402  0.433511  0.415994  1
  Ti  Ti74  1  0.024001  0.441071  0.691626  1
  Ti  Ti75  1  0.145182  0.473350  0.922368  1
  Ti  Ti76  1  0.022216  0.709718  0.232186  1
  Ti  Ti77  1  0.126775  0.706663  0.519481  1
  Ti  Ti78  1  0.054415  0.731619  0.680561  1
  Ti  Ti79  1  0.084688  0.652907  0.922581  1
  Ti  Ti80  1  0.296618  0.943412  0.170190  1
  Ti  Ti81  1  0.375988  -0.028093  0.473394  1
  Ti  Ti82  1  0.264443  0.943872  0.643754  1
  Ti  Ti83  1  0.360808  -0.029211  0.997828  1
  Ti  Ti84  1  0.299255  0.196123  0.229943  1
  Ti  Ti85  1  0.353690  0.223978  0.407180  1
  Ti  Ti86  1  0.263093  0.204167  0.727304  1
  Ti  Ti87  1  0.340794  0.227093  0.940900  1
  Ti  Ti88  1  0.345770  0.467296  0.168533  1
  Ti  Ti89  1  0.294065  0.458601  0.434566  1
  Ti  Ti90  1  0.342643  0.486800  0.605871  1
  Ti  Ti91  1  0.278770  0.424763  0.998749  1
  Ti  Ti92  1  0.380392  0.663199  0.218474  1
  Ti  Ti93  1  0.328285  0.706926  0.388482  1
  Ti  Ti94  1  0.339386  0.712784  0.672352  1
  Ti  Ti95  1  0.253787  0.705031  1.012058  1
  Ti  Ti96  1  0.618904  -0.017811  0.245775  1
  Ti  Ti97  1  0.526918  -0.048478  0.481439  1
  Ti  Ti98  1  0.615822  -0.036709  0.651342  1
  Ti  Ti99  1  0.532163  0.938703  0.944160  1
  Ti  Ti100  1  0.605501  0.169547  0.088098  1
  Ti  Ti101  1  0.561605  0.219619  0.503097  1
  Ti  Ti102  1  0.631372  0.200280  0.691423  1
  Ti  Ti103  1  0.524386  0.216596  0.924269  1
  Ti  Ti104  1  0.567519  0.450777  0.207805  1
  Ti  Ti105  1  0.618297  0.465472  0.375342  1
  Ti  Ti106  1  0.546764  0.429023  0.754573  1
  Ti  Ti107  1  0.662177  0.457612  1.035797  1
  Ti  Ti108  1  0.552597  0.700434  0.156317  1
  Ti  Ti109  1  0.654978  0.700694  0.498735  1
  Ti  Ti110  1  0.575410  0.696530  0.650411  1
  Ti  Ti111  1  0.627796  0.694134  0.976451  1
  Ti  Ti112  1  0.768547  0.935541  0.193345  1
  Ti  Ti113  1  0.849787  -0.027021  0.500068  1
  Ti  Ti114  1  0.739439  0.936590  0.612188  1
  Ti  Ti115  1  0.869874  0.011282  0.967595  1
  Ti  Ti116  1  0.775866  0.194895  0.164521  1
  Ti  Ti117  1  0.878458  0.185102  0.472763  1
  Ti  Ti118  1  0.792058  0.199992  0.683729  1
  Ti  Ti119  1  0.889513  0.155956  0.955164  1
  Ti  Ti120  1  0.837331  0.541843  0.124471  1
  Ti  Ti121  1  0.788627  0.495544  0.482597  1
  Ti  Ti122  1  0.899060  0.475215  0.610174  1
  Ti  Ti123  1  0.802699  0.407804  0.983734  1
  Ti  Ti124  1  0.889316  0.699280  0.297727  1
  Ti  Ti125  1  0.783227  0.690260  0.429427  1
  Ti  Ti126  1  0.866525  0.709738  0.716422  1
  Ti  Ti127  1  0.794280  0.687078  0.890205  1
  Ti  Ti128  1  0.088233  0.030267  1.048977  1
  Ti  Ti129  1  0.082114  0.045790  0.359415  1
  Ti  Ti130  1  0.073077  0.052084  0.565050  1
  Ti  Ti131  1  0.063912  0.001178  0.798419  1
  Ti  Ti132  1  0.073606  0.284821  1.066804  1
  Ti  Ti133  1  0.042098  0.332634  0.288006  1
  Ti  Ti134  1  0.082601  0.331260  0.556016  1
  Ti  Ti135  1  0.104959  0.371133  0.808810  1
  Ti  Ti136  1  0.077012  0.624038  0.090601  1
  Ti  Ti137  1  0.081300  0.623255  0.396414  1
  Ti  Ti138  1  0.018810  0.532726  0.536207  1
  Ti  Ti139  1  0.035126  0.546384  0.830736  1
  Ti  Ti140  1  0.063265  0.839352  0.132156  1
  Ti  Ti141  1  0.039171  0.847006  0.320114  1
  Ti  Ti142  1  0.102726  0.840416  0.502952  1
  Ti  Ti143  1  0.042446  0.841170  0.822182  1
  Ti  Ti144  1  0.295213  0.089172  0.092701  1
  Ti  Ti145  1  0.262993  0.052787  0.246165  1
  Ti  Ti146  1  0.312809  0.148749  0.569087  1
  Ti  Ti147  1  0.314963  0.053998  0.695017  1
  Ti  Ti148  1  0.291932  0.305759  0.078592  1
  Ti  Ti149  1  0.340748  0.341954  0.337004  1
  Ti  Ti150  1  0.290364  0.326808  0.527018  1
  Ti  Ti151  1  0.284776  0.329118  0.841690  1
  Ti  Ti152  1  0.309504  0.568657  1.072732  1
  Ti  Ti153  1  0.305938  0.561000  0.320225  1
  Ti  Ti154  1  0.328421  0.613424  0.549087  1
  Ti  Ti155  1  0.304728  0.513152  0.887267  1
  Ti  Ti156  1  0.300330  0.827054  1.066927  1
  Ti  Ti157  1  0.351694  0.806999  0.241510  1
  Ti  Ti158  1  0.310402  0.843374  0.558766  1
  Ti  Ti159  1  0.361626  0.779887  0.818289  1
  Ti  Ti160  1  0.625666  0.030908  0.085783  1
  Ti  Ti161  1  0.588408  0.168185  0.309695  1
  Ti  Ti162  1  0.567142  0.078743  0.583212  1
  Ti  Ti163  1  0.567069  0.074617  0.768005  1
  Ti  Ti164  1  0.630133  0.314489  1.049321  1
  Ti  Ti165  1  0.576874  0.330733  0.324026  1
  Ti  Ti166  1  0.612504  0.331390  0.615974  1
  Ti  Ti167  1  0.574185  0.312586  0.811882  1
  Ti  Ti168  1  0.606282  0.577729  0.094021  1
  Ti  Ti169  1  0.587388  0.588639  0.278663  1
  Ti  Ti170  1  0.598475  0.569867  0.537196  1
  Ti  Ti171  1  0.608580  0.518596  0.892782  1
  Ti  Ti172  1  0.576411  0.812855  1.040529  1
  Ti  Ti173  1  0.546334  0.866197  0.350754  1
  Ti  Ti174  1  0.638290  0.827170  0.565791  1
  Ti  Ti175  1  0.553527  0.799109  0.862018  1
  Ti  Ti176  1  0.766874  0.049139  0.088007  1
  Ti  Ti177  1  0.799303  0.134258  0.321214  1
  Ti  Ti178  1  0.847002  0.087746  0.607874  1
  Ti  Ti179  1  0.880723  0.123162  0.792882  1
  Ti  Ti180  1  0.834730  0.295291  0.087755  1
  Ti  Ti181  1  0.867360  0.235856  0.294297  1
  Ti  Ti182  1  0.797430  0.365606  0.611874  1
  Ti  Ti183  1  0.836710  0.312883  0.833979  1
  Ti  Ti184  1  0.832232  0.544603  0.967137  1
  Ti  Ti185  1  0.819709  0.580778  0.319051  1
  Ti  Ti186  1  0.870184  0.593793  0.530200  1
  Ti  Ti187  1  0.905438  0.597864  0.831659  1
  Ti  Ti188  1  0.801630  0.898820  1.041198  1
  Ti  Ti189  1  0.827632  0.829859  0.320920  1
  Ti  Ti190  1  0.757939  0.796488  0.666266  1
  Ti  Ti191  1  0.822981  0.802368  0.833425  1
  Nb  Nb192  1  -0.038744  -0.028692  0.153311  1
  Nb  Nb193  1  0.886387  0.021345  0.268844  1
  Nb  Nb194  1  -0.028697  0.903549  0.643577  1
  Nb  Nb195  1  0.879201  0.932222  0.733887  1
  Nb  Nb196  1  0.922684  0.092307  0.129691  1
  Nb  Nb197  1  -0.017259  0.106370  0.263793  1
  Nb  Nb198  1  0.947392  0.281644  0.631424  1
  Nb  Nb199  1  0.009282  0.235061  0.757375  1
  Nb  Nb200  1  0.020785  0.439095  0.131483  1
  Nb  Nb201  1  0.889273  0.425253  0.271281  1
  Nb  Nb202  1  0.904034  0.375946  0.443054  1
  Nb  Nb203  1  -0.011073  0.425598  0.984366  1
  Nb  Nb204  1  0.845320  0.728225  0.078816  1
  Nb  Nb205  1  -0.035065  0.717933  0.465896  1
  Nb  Nb206  1  0.929537  0.802197  0.568578  1
  Nb  Nb207  1  -0.047746  0.740393  1.008996  1
  Nb  Nb208  1  0.218576  -0.007745  0.908881  1
  Nb  Nb209  1  0.214049  0.882449  0.361378  1
  Nb  Nb210  1  0.217867  -0.003321  0.446743  1
  Nb  Nb211  1  0.231125  0.877515  0.847789  1
  Nb  Nb212  1  0.191886  0.118566  0.924410  1
  Nb  Nb213  1  0.181375  0.244563  0.370040  1
  Nb  Nb214  1  0.197509  0.133649  0.440034  1
  Nb  Nb215  1  0.110004  0.189889  0.845438  1
  Nb  Nb216  1  0.157725  0.475078  0.165216  1
  Nb  Nb217  1  0.198434  0.375835  0.242977  1
  Nb  Nb218  1  0.158410  0.546673  0.626248  1
  Nb  Nb219  1  0.217720  0.472634  0.718888  1
  Nb  Nb220  1  0.195828  0.657055  0.212562  1
  Nb  Nb221  1  0.191283  0.766692  0.286581  1
  Nb  Nb222  1  0.181814  0.632295  0.736356  1
  Nb  Nb223  1  0.192855  0.758000  0.803538  1
  Nb  Nb224  1  0.471155  0.927887  0.141196  1
  Nb  Nb225  1  0.457771  0.030425  0.216214  1
  Nb  Nb226  1  0.466092  0.830006  0.614378  1
  Nb  Nb227  1  0.452832  0.920487  0.714972  1
  Nb  Nb228  1  0.445962  0.270965  0.127237  1
  Nb  Nb229  1  0.456502  0.154710  0.183154  1
  Nb  Nb230  1  0.418985  0.280646  0.634597  1
  Nb  Nb231  1  0.456991  0.186779  0.715403  1
  Nb  Nb232  1  0.476348  0.375448  1.043800  1
  Nb  Nb233  1  0.468754  0.485603  0.465829  1
  Nb  Nb234  1  0.465993  0.378889  0.545078  1
  Nb  Nb235  1  0.464520  0.486317  0.976654  1
  Nb  Nb236  1  0.425530  0.700240  1.020753  1
  Nb  Nb237  1  0.477568  0.637180  0.412393  1
  Nb  Nb238  1  0.465028  0.744455  0.489149  1
  Nb  Nb239  1  0.471841  0.609704  0.937454  1
  Nb  Nb240  1  0.673372  -0.031853  0.889064  1
  Nb  Nb241  1  0.698348  0.910186  0.382982  1
  Nb  Nb242  1  0.712090  0.029462  0.428279  1
  Nb  Nb243  1  0.775916  -0.017215  0.809046  1
  Nb  Nb244  1  0.722064  0.214113  0.926040  1
  Nb  Nb245  1  0.724616  0.271777  0.432825  1
  Nb  Nb246  1  0.697680  0.153385  0.475421  1
  Nb  Nb247  1  0.709362  0.097928  0.893023  1
  Nb  Nb248  1  0.744211  0.410677  0.206526  1
  Nb  Nb249  1  0.786921  0.368648  0.344512  1
  Nb  Nb250  1  0.683894  0.504766  0.681017  1
  Nb  Nb251  1  0.775066  0.518980  0.777931  1
  Nb  Nb252  1  0.740102  0.720483  0.163989  1
  Nb  Nb253  1  0.671826  0.763024  0.279731  1
  Nb  Nb254  1  0.751994  0.614357  0.656833  1
  Nb  Nb255  1  0.675567  0.638094  0.777476  1
