# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.74216740
_cell_length_b   14.74017233
_cell_length_c   47.87505306
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo
_chemical_formula_sum   Mo252
_cell_volume   9898.64001963
_cell_formula_units_Z   252
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
  Mo  Mo1  1  0.758222  0.259522  0.308159  1
  Mo  Mo2  1  0.091556  0.926189  0.308159  1
  Mo  Mo3  1  0.126007  0.294002  0.290031  1
  Mo  Mo4  1  0.386417  0.221042  0.327332  1
  Mo  Mo5  1  0.719750  0.887708  0.327332  1
  Mo  Mo6  1  0.053083  0.554375  0.327332  1
  Mo  Mo7  1  0.424889  0.592856  0.308159  1
  Mo  Mo8  1  0.459340  0.960669  0.290031  1
  Mo  Mo9  1  0.792674  0.627335  0.290031  1
  Mo  Mo10  1  0.924889  0.092856  0.308159  1
  Mo  Mo11  1  0.258222  0.759522  0.308159  1
  Mo  Mo12  1  0.292674  0.127335  0.290031  1
  Mo  Mo13  1  0.553083  0.054375  0.327332  1
  Mo  Mo14  1  0.886417  0.721042  0.327332  1
  Mo  Mo15  1  0.219750  0.387708  0.327332  1
  Mo  Mo16  1  0.591556  0.426189  0.308159  1
  Mo  Mo17  1  0.626007  0.794002  0.290031  1
  Mo  Mo18  1  0.959340  0.460669  0.290031  1
  Mo  Mo19  1  0.739672  0.074300  0.318265  1
  Mo  Mo20  1  0.073005  0.740967  0.318265  1
  Mo  Mo21  1  0.110295  0.111604  0.297822  1
  Mo  Mo22  1  0.366837  0.034805  0.338976  1
  Mo  Mo23  1  0.700170  0.701471  0.338976  1
  Mo  Mo24  1  0.033504  0.368138  0.338976  1
  Mo  Mo25  1  0.406339  0.407634  0.318265  1
  Mo  Mo26  1  0.443628  0.778271  0.297822  1
  Mo  Mo27  1  0.776962  0.444938  0.297822  1
  Mo  Mo28  1  0.943628  0.278271  0.297822  1
  Mo  Mo29  1  0.276962  0.944938  0.297822  1
  Mo  Mo30  1  0.200170  0.201471  0.338976  1
  Mo  Mo31  1  0.573005  0.240967  0.318265  1
  Mo  Mo32  1  0.906339  0.907634  0.318265  1
  Mo  Mo33  1  0.239672  0.574300  0.318265  1
  Mo  Mo34  1  0.610295  0.611604  0.297822  1
  Mo  Mo35  1  0.533504  0.868138  0.338976  1
  Mo  Mo36  1  0.866837  0.534805  0.338976  1
  Mo  Mo37  1  0.640710  0.141988  0.369368  1
  Mo  Mo38  1  0.974043  0.808655  0.369368  1
  Mo  Mo39  1  0.013652  0.181611  0.348832  1
  Mo  Mo40  1  0.268235  0.102845  0.391067  1
  Mo  Mo41  1  0.601568  0.769512  0.391067  1
  Mo  Mo42  1  0.934902  0.436178  0.391067  1
  Mo  Mo43  1  0.307376  0.475322  0.369368  1
  Mo  Mo44  1  0.346985  0.848277  0.348832  1
  Mo  Mo45  1  0.680319  0.514944  0.348832  1
  Mo  Mo46  1  0.807376  0.975322  0.369368  1
  Mo  Mo47  1  0.140710  0.641988  0.369368  1
  Mo  Mo48  1  0.180319  0.014944  0.348832  1
  Mo  Mo49  1  0.434902  0.936178  0.391067  1
  Mo  Mo50  1  0.768235  0.602845  0.391067  1
  Mo  Mo51  1  0.101568  0.269512  0.391067  1
  Mo  Mo52  1  0.474043  0.308655  0.369368  1
  Mo  Mo53  1  0.513652  0.681611  0.348832  1
  Mo  Mo54  1  0.846985  0.348277  0.348832  1
  Mo  Mo55  1  0.621472  0.956081  0.379822  1
  Mo  Mo56  1  0.954806  0.622748  0.379822  1
  Mo  Mo57  1  0.993808  0.995091  0.359233  1
  Mo  Mo58  1  0.248443  0.916383  0.401258  1
  Mo  Mo59  1  0.581776  0.583049  0.401258  1
  Mo  Mo60  1  0.915110  0.249716  0.401258  1
  Mo  Mo61  1  0.288139  0.289415  0.379822  1
  Mo  Mo62  1  0.327141  0.661758  0.359233  1
  Mo  Mo63  1  0.660474  0.328424  0.359233  1
  Mo  Mo64  1  0.827141  0.161758  0.359233  1
  Mo  Mo65  1  0.160474  0.828424  0.359233  1
  Mo  Mo66  1  0.081776  0.083049  0.401258  1
  Mo  Mo67  1  0.454806  0.122748  0.379822  1
  Mo  Mo68  1  0.788139  0.789415  0.379822  1
  Mo  Mo69  1  0.121472  0.456081  0.379822  1
  Mo  Mo70  1  0.493808  0.495091  0.359233  1
  Mo  Mo71  1  0.415110  0.749716  0.401258  1
  Mo  Mo72  1  0.748443  0.416383  0.401258  1
  Mo  Mo73  1  0.522881  0.024140  0.432535  1
  Mo  Mo74  1  0.856214  0.690807  0.432535  1
  Mo  Mo75  1  0.895339  0.063273  0.411634  1
  Mo  Mo76  1  0.149969  0.984556  0.453633  1
  Mo  Mo77  1  0.483302  0.651223  0.453633  1
  Mo  Mo78  1  0.816635  0.317889  0.453633  1
  Mo  Mo79  1  0.189548  0.357473  0.432535  1
  Mo  Mo80  1  0.228672  0.729939  0.411634  1
  Mo  Mo81  1  0.562006  0.396606  0.411634  1
  Mo  Mo82  1  0.689548  0.857473  0.432535  1
  Mo  Mo83  1  0.022881  0.524140  0.432535  1
  Mo  Mo84  1  0.062006  0.896606  0.411634  1
  Mo  Mo85  1  0.316635  0.817889  0.453633  1
  Mo  Mo86  1  0.649969  0.484556  0.453633  1
  Mo  Mo87  1  0.983302  0.151223  0.453633  1
  Mo  Mo88  1  0.356214  0.190807  0.432535  1
  Mo  Mo89  1  0.395339  0.563273  0.411634  1
  Mo  Mo90  1  0.728672  0.229939  0.411634  1
  Mo  Mo91  1  0.503072  0.837662  0.443320  1
  Mo  Mo92  1  0.836405  0.504329  0.443320  1
  Mo  Mo93  1  0.875754  0.877016  0.421987  1
  Mo  Mo94  1  0.130240  0.798156  0.464086  1
  Mo  Mo95  1  0.463573  0.464823  0.464086  1
  Mo  Mo96  1  0.796906  0.131489  0.464086  1
  Mo  Mo97  1  0.169738  0.170996  0.443320  1
  Mo  Mo98  1  0.209087  0.543683  0.421987  1
  Mo  Mo99  1  0.542420  0.210350  0.421987  1
  Mo  Mo100  1  0.709087  0.043683  0.421987  1
  Mo  Mo101  1  0.042420  0.710350  0.421987  1
  Mo  Mo102  1  0.963573  0.964823  0.464086  1
  Mo  Mo103  1  0.336405  0.004329  0.443320  1
  Mo  Mo104  1  0.669738  0.670996  0.443320  1
  Mo  Mo105  1  0.003072  0.337662  0.443320  1
  Mo  Mo106  1  0.375754  0.377016  0.421987  1
  Mo  Mo107  1  0.296906  0.631489  0.464086  1
  Mo  Mo108  1  0.630240  0.298156  0.464086  1
  Mo  Mo109  1  0.404596  0.905834  0.495663  1
  Mo  Mo110  1  0.737929  0.572501  0.495663  1
  Mo  Mo111  1  0.777291  0.945203  0.474556  1
  Mo  Mo112  1  0.031756  0.866321  0.516580  1
  Mo  Mo113  1  0.365089  0.532988  0.516580  1
  Mo  Mo114  1  0.698423  0.199654  0.516580  1
  Mo  Mo115  1  0.071262  0.239167  0.495663  1
  Mo  Mo116  1  0.110625  0.611870  0.474556  1
  Mo  Mo117  1  0.443958  0.278537  0.474556  1
  Mo  Mo118  1  0.571262  0.739167  0.495663  1
  Mo  Mo119  1  0.904596  0.405834  0.495663  1
  Mo  Mo120  1  0.943958  0.778537  0.474556  1
  Mo  Mo121  1  0.198423  0.699654  0.516580  1
  Mo  Mo122  1  0.531756  0.366321  0.516580  1
  Mo  Mo123  1  0.865089  0.032988  0.516580  1
  Mo  Mo124  1  0.237929  0.072501  0.495663  1
  Mo  Mo125  1  0.277291  0.445203  0.474556  1
  Mo  Mo126  1  0.610625  0.111870  0.474556  1
  Mo  Mo127  1  0.384842  0.719411  0.506009  1
  Mo  Mo128  1  0.718175  0.386077  0.506009  1
  Mo  Mo129  1  0.757681  0.758923  0.485092  1
  Mo  Mo130  1  0.012146  0.680041  0.527116  1
  Mo  Mo131  1  0.345480  0.346708  0.527116  1
  Mo  Mo132  1  0.678813  0.013374  0.527116  1
  Mo  Mo133  1  0.051509  0.052744  0.506009  1
  Mo  Mo134  1  0.091015  0.425590  0.485092  1
  Mo  Mo135  1  0.424348  0.092257  0.485092  1
  Mo  Mo136  1  0.591015  0.925590  0.485092  1
  Mo  Mo137  1  0.924348  0.592257  0.485092  1
  Mo  Mo138  1  0.845480  0.846708  0.527116  1
  Mo  Mo139  1  0.218175  0.886077  0.506009  1
  Mo  Mo140  1  0.551509  0.552744  0.506009  1
  Mo  Mo141  1  0.884842  0.219411  0.506009  1
  Mo  Mo142  1  0.257681  0.258923  0.485092  1
  Mo  Mo143  1  0.178813  0.513374  0.527116  1
  Mo  Mo144  1  0.512146  0.180041  0.527116  1
  Mo  Mo145  1  0.286366  0.787582  0.558351  1
  Mo  Mo146  1  0.619699  0.454249  0.558351  1
  Mo  Mo147  1  0.659198  0.827088  0.537586  1
  Mo  Mo148  1  0.913684  0.748228  0.579685  1
  Mo  Mo149  1  0.247017  0.414895  0.579685  1
  Mo  Mo150  1  0.580350  0.081561  0.579685  1
  Mo  Mo151  1  0.953032  0.120916  0.558351  1
  Mo  Mo152  1  0.992531  0.493755  0.537586  1
  Mo  Mo153  1  0.325864  0.160422  0.537586  1
  Mo  Mo154  1  0.453032  0.620916  0.558351  1
  Mo  Mo155  1  0.786366  0.287582  0.558351  1
  Mo  Mo156  1  0.825864  0.660422  0.537586  1
  Mo  Mo157  1  0.080350  0.581561  0.579685  1
  Mo  Mo158  1  0.413684  0.248228  0.579685  1
  Mo  Mo159  1  0.747017  0.914895  0.579685  1
  Mo  Mo160  1  0.119699  0.954249  0.558351  1
  Mo  Mo161  1  0.159198  0.327088  0.537586  1
  Mo  Mo162  1  0.492531  0.993755  0.537586  1
  Mo  Mo163  1  0.266556  0.601104  0.569137  1
  Mo  Mo164  1  0.599890  0.267771  0.569137  1
  Mo  Mo165  1  0.639469  0.640689  0.548039  1
  Mo  Mo166  1  0.894098  0.561972  0.590038  1
  Mo  Mo167  1  0.227432  0.228638  0.590038  1
  Mo  Mo168  1  0.560765  0.895305  0.590038  1
  Mo  Mo169  1  0.933223  0.934438  0.569137  1
  Mo  Mo170  1  0.972802  0.307355  0.548039  1
  Mo  Mo171  1  0.306135  0.974022  0.548039  1
  Mo  Mo172  1  0.472802  0.807355  0.548039  1
  Mo  Mo173  1  0.806135  0.474022  0.548039  1
  Mo  Mo174  1  0.727432  0.728638  0.590038  1
  Mo  Mo175  1  0.099890  0.767771  0.569137  1
  Mo  Mo176  1  0.433223  0.434438  0.569137  1
  Mo  Mo177  1  0.766556  0.101104  0.569137  1
  Mo  Mo178  1  0.139469  0.140689  0.548039  1
  Mo  Mo179  1  0.060765  0.395305  0.590038  1
  Mo  Mo180  1  0.394098  0.061972  0.590038  1
  Mo  Mo181  1  0.167965  0.669163  0.621850  1
  Mo  Mo182  1  0.501298  0.335830  0.621850  1
  Mo  Mo183  1  0.540994  0.708862  0.600413  1
  Mo  Mo184  1  0.795630  0.630153  0.642439  1
  Mo  Mo185  1  0.128963  0.296820  0.642439  1
  Mo  Mo186  1  0.462296  0.963487  0.642439  1
  Mo  Mo187  1  0.834632  1.002497  0.621850  1
  Mo  Mo188  1  0.874328  0.375529  0.600413  1
  Mo  Mo189  1  0.207661  0.042195  0.600413  1
  Mo  Mo190  1  0.334632  0.502497  0.621850  1
  Mo  Mo191  1  0.667965  0.169163  0.621850  1
  Mo  Mo192  1  0.707661  0.542195  0.600413  1
  Mo  Mo193  1  0.962296  0.463487  0.642439  1
  Mo  Mo194  1  0.295630  0.130153  0.642439  1
  Mo  Mo195  1  0.628963  0.796820  0.642439  1
  Mo  Mo196  1  1.001298  0.835830  0.621850  1
  Mo  Mo197  1  0.040994  0.208862  0.600413  1
  Mo  Mo198  1  0.374328  0.875529  0.600413  1
  Mo  Mo199  1  0.148728  0.483256  0.632304  1
  Mo  Mo200  1  0.482061  0.149923  0.632304  1
  Mo  Mo201  1  0.521203  0.522400  0.610604  1
  Mo  Mo202  1  0.775785  0.443634  0.652840  1
  Mo  Mo203  1  0.109119  0.110301  0.652840  1
  Mo  Mo204  1  0.442452  0.776967  0.652840  1
  Mo  Mo205  1  0.815395  0.816590  0.632304  1
  Mo  Mo206  1  0.854536  0.189066  0.610604  1
  Mo  Mo207  1  0.187869  0.855733  0.610604  1
  Mo  Mo208  1  0.354536  0.689066  0.610604  1
  Mo  Mo209  1  0.687869  0.355733  0.610604  1
  Mo  Mo210  1  0.609119  0.610301  0.652840  1
  Mo  Mo211  1  0.982061  0.649923  0.632304  1
  Mo  Mo212  1  0.315395  0.316590  0.632304  1
  Mo  Mo213  1  0.648728  0.983256  0.632304  1
  Mo  Mo214  1  0.021203  0.022400  0.610604  1
  Mo  Mo215  1  0.942452  0.276967  0.652840  1
  Mo  Mo216  1  0.275785  0.943634  0.652840  1
  Mo  Mo217  1  0.049766  0.550944  0.683407  1
  Mo  Mo218  1  0.383099  0.217611  0.683407  1
  Mo  Mo219  1  0.422600  0.590440  0.662696  1
  Mo  Mo220  1  0.679142  0.513640  0.703850  1
  Mo  Mo221  1  0.012476  0.180307  0.703850  1
  Mo  Mo222  1  0.345809  0.846973  0.703850  1
  Mo  Mo223  1  0.716432  0.884277  0.683407  1
  Mo  Mo224  1  0.755934  0.257107  0.662696  1
  Mo  Mo225  1  0.089267  0.923773  0.662696  1
  Mo  Mo226  1  0.216432  0.384277  0.683407  1
  Mo  Mo227  1  0.549766  0.050944  0.683407  1
  Mo  Mo228  1  0.589267  0.423773  0.662696  1
  Mo  Mo229  1  0.845809  0.346973  0.703850  1
  Mo  Mo230  1  0.179142  0.013640  0.703850  1
  Mo  Mo231  1  0.512476  0.680307  0.703850  1
  Mo  Mo232  1  0.883099  0.717611  0.683407  1
  Mo  Mo233  1  0.922600  0.090440  0.662696  1
  Mo  Mo234  1  0.255934  0.757107  0.662696  1
  Mo  Mo235  1  0.031215  0.365722  0.693513  1
  Mo  Mo236  1  0.364549  0.032389  0.693513  1
  Mo  Mo237  1  0.403021  0.404203  0.674339  1
  Mo  Mo238  1  0.663430  0.331243  0.711641  1
  Mo  Mo239  1  0.996764  0.997909  0.711641  1
  Mo  Mo240  1  0.330097  0.664576  0.711641  1
  Mo  Mo241  1  0.697882  0.699056  0.693513  1
  Mo  Mo242  1  0.736354  0.070869  0.674339  1
  Mo  Mo243  1  0.069687  0.737536  0.674339  1
  Mo  Mo244  1  0.236354  0.570869  0.674339  1
  Mo  Mo245  1  0.569687  0.237536  0.674339  1
  Mo  Mo246  1  0.496764  0.497909  0.711641  1
  Mo  Mo247  1  0.864549  0.532389  0.693513  1
  Mo  Mo248  1  0.197882  0.199056  0.693513  1
  Mo  Mo249  1  0.531215  0.865722  0.693513  1
  Mo  Mo250  1  0.903021  0.904203  0.674339  1
  Mo  Mo251  1  0.830097  0.164576  0.711641  1
  Mo  Mo252  1  0.163430  0.831243  0.711641  1
