# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.76108107
_cell_length_b   25.95627068
_cell_length_c   49.45863114
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo
_chemical_formula_sum   Mo504
_cell_volume   18655.8975709
_cell_formula_units_Z   504
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  0.071359  0.769547  0.280830  1
  Mo  Mo2  1  0.735197  0.598872  0.283821  1
  Mo  Mo3  1  0.692985  0.758353  0.301641  1
  Mo  Mo4  1  0.073828  0.266611  0.281657  1
  Mo  Mo5  1  0.025249  0.425158  0.301599  1
  Mo  Mo6  1  0.977656  0.579865  0.322858  1
  Mo  Mo7  1  0.406936  0.433376  0.281684  1
  Mo  Mo8  1  0.358946  0.592108  0.301620  1
  Mo  Mo9  1  0.311818  0.745781  0.324204  1
  Mo  Mo10  1  0.738147  0.103003  0.280704  1
  Mo  Mo11  1  0.692299  0.256998  0.300546  1
  Mo  Mo12  1  0.645073  0.412262  0.324109  1
  Mo  Mo13  1  0.025233  0.923713  0.300508  1
  Mo  Mo14  1  0.978663  0.079048  0.324092  1
  Mo  Mo15  1  0.407370  0.933067  0.281697  1
  Mo  Mo16  1  0.359068  0.092144  0.301616  1
  Mo  Mo17  1  0.311639  0.245517  0.323933  1
  Mo  Mo18  1  0.645174  0.912153  0.323970  1
  Mo  Mo19  1  0.214159  0.679620  0.290918  1
  Mo  Mo20  1  0.881641  0.514149  0.291626  1
  Mo  Mo21  1  0.834220  0.667938  0.311589  1
  Mo  Mo22  1  0.215913  0.179003  0.290800  1
  Mo  Mo23  1  0.167373  0.335941  0.311675  1
  Mo  Mo24  1  0.121720  0.489842  0.334903  1
  Mo  Mo25  1  0.548276  0.345847  0.290774  1
  Mo  Mo26  1  0.500735  0.502537  0.311585  1
  Mo  Mo27  1  0.454938  0.656449  0.334659  1
  Mo  Mo28  1  0.881219  0.013248  0.290681  1
  Mo  Mo29  1  0.835039  0.169236  0.311679  1
  Mo  Mo30  1  0.788376  0.322815  0.334365  1
  Mo  Mo31  1  0.168237  0.836070  0.311743  1
  Mo  Mo32  1  0.121648  0.989294  0.334388  1
  Mo  Mo33  1  0.549510  0.845590  0.290858  1
  Mo  Mo34  1  0.500639  0.002111  0.311798  1
  Mo  Mo35  1  0.592885  0.188066  0.272806  1
  Mo  Mo36  1  0.925741  0.854314  0.272934  1
  Mo  Mo37  1  0.025410  0.675217  0.301643  1
  Mo  Mo38  1  0.690833  0.506513  0.300553  1
  Mo  Mo39  1  0.644599  0.663349  0.322921  1
  Mo  Mo40  1  0.024277  0.173774  0.300431  1
  Mo  Mo41  1  0.977913  0.329635  0.322580  1
  Mo  Mo42  1  0.069554  0.515939  0.283657  1
  Mo  Mo43  1  0.356526  0.340627  0.300503  1
  Mo  Mo44  1  0.311194  0.496444  0.322603  1
  Mo  Mo45  1  0.400674  0.685666  0.282369  1
  Mo  Mo46  1  0.690549  0.007238  0.300500  1
  Mo  Mo47  1  0.645580  0.162299  0.323944  1
  Mo  Mo48  1  0.734591  0.352198  0.282308  1
  Mo  Mo49  1  0.978784  0.828910  0.324005  1
  Mo  Mo50  1  0.067746  0.018695  0.282285  1
  Mo  Mo51  1  0.357563  0.840373  0.300470  1
  Mo  Mo52  1  0.311382  0.996320  0.322584  1
  Mo  Mo53  1  0.405041  0.186257  0.280762  1
  Mo  Mo54  1  0.738419  0.852628  0.280812  1
  Mo  Mo55  1  0.259079  0.770501  0.273034  1
  Mo  Mo56  1  0.787985  0.572828  0.334770  1
  Mo  Mo57  1  0.882129  0.763010  0.290873  1
  Mo  Mo58  1  0.257610  0.270638  0.272937  1
  Mo  Mo59  1  0.215626  0.431576  0.291571  1
  Mo  Mo60  1  0.167475  0.584688  0.311611  1
  Mo  Mo61  1  0.591589  0.436867  0.272963  1
  Mo  Mo62  1  0.547861  0.598382  0.291477  1
  Mo  Mo63  1  0.501382  0.751468  0.311747  1
  Mo  Mo64  1  0.926298  0.103906  0.272900  1
  Mo  Mo65  1  0.882741  0.265008  0.291377  1
  Mo  Mo66  1  0.834806  0.418502  0.311562  1
  Mo  Mo67  1  0.216080  0.931673  0.291412  1
  Mo  Mo68  1  0.168008  0.084653  0.311663  1
  Mo  Mo69  1  0.591386  0.937262  0.272977  1
  Mo  Mo70  1  0.548674  0.097069  0.290724  1
  Mo  Mo71  1  0.501177  0.251875  0.311988  1
  Mo  Mo72  1  0.834546  0.918704  0.311933  1
  Mo  Mo73  1  0.930994  0.733186  0.345284  1
  Mo  Mo74  1  0.598583  0.567269  0.344738  1
  Mo  Mo75  1  0.549533  0.722017  0.367622  1
  Mo  Mo76  1  0.931715  0.233829  0.344980  1
  Mo  Mo77  1  0.883040  0.388700  0.367353  1
  Mo  Mo78  1  0.835421  0.543191  0.390110  1
  Mo  Mo79  1  0.264709  0.400574  0.345098  1
  Mo  Mo80  1  0.216552  0.555303  0.367519  1
  Mo  Mo81  1  0.168708  0.709890  0.389963  1
  Mo  Mo82  1  0.597932  0.066683  0.345256  1
  Mo  Mo83  1  0.549517  0.222054  0.367878  1
  Mo  Mo84  1  0.502072  0.376710  0.389870  1
  Mo  Mo85  1  0.882804  0.888782  0.367876  1
  Mo  Mo86  1  0.835494  0.043238  0.389906  1
  Mo  Mo87  1  0.265085  0.900510  0.345028  1
  Mo  Mo88  1  0.216206  0.055139  0.367441  1
  Mo  Mo89  1  0.168623  0.210051  0.389874  1
  Mo  Mo90  1  0.502032  0.876600  0.389940  1
  Mo  Mo91  1  0.074050  0.644385  0.356254  1
  Mo  Mo92  1  0.740898  0.477728  0.356325  1
  Mo  Mo93  1  0.692186  0.632772  0.378826  1
  Mo  Mo94  1  0.074025  0.144644  0.356232  1
  Mo  Mo95  1  0.025721  0.299332  0.378571  1
  Mo  Mo96  1  0.977977  0.453994  0.401063  1
  Mo  Mo97  1  0.407051  0.311503  0.356386  1
  Mo  Mo98  1  0.359068  0.465996  0.378604  1
  Mo  Mo99  1  0.311451  0.620519  0.401174  1
  Mo  Mo100  1  0.740458  0.978098  0.356423  1
  Mo  Mo101  1  0.692762  0.132343  0.379039  1
  Mo  Mo102  1  0.644743  0.287277  0.401239  1
  Mo  Mo103  1  0.025919  0.799069  0.379113  1
  Mo  Mo104  1  0.978055  0.953962  0.401245  1
  Mo  Mo105  1  0.407351  0.811291  0.356312  1
  Mo  Mo106  1  0.359078  0.965963  0.378609  1
  Mo  Mo107  1  0.455457  0.156407  0.334150  1
  Mo  Mo108  1  0.788979  0.823100  0.334108  1
  Mo  Mo109  1  0.882978  0.638606  0.367542  1
  Mo  Mo110  1  0.549607  0.472312  0.367649  1
  Mo  Mo111  1  0.502244  0.626360  0.390056  1
  Mo  Mo112  1  0.882792  0.138871  0.367709  1
  Mo  Mo113  1  0.835611  0.293165  0.390020  1
  Mo  Mo114  1  0.931444  0.483897  0.344989  1
  Mo  Mo115  1  0.216202  0.305563  0.367685  1
  Mo  Mo116  1  0.168763  0.459855  0.390154  1
  Mo  Mo117  1  0.264189  0.650030  0.345245  1
  Mo  Mo118  1  0.549493  0.972021  0.367783  1
  Mo  Mo119  1  0.502081  0.126452  0.390012  1
  Mo  Mo120  1  0.598206  0.316650  0.345252  1
  Mo  Mo121  1  0.835424  0.793115  0.390005  1
  Mo  Mo122  1  0.931527  0.983393  0.345182  1
  Mo  Mo123  1  0.216114  0.805693  0.367829  1
  Mo  Mo124  1  0.168889  0.959762  0.390073  1
  Mo  Mo125  1  0.264257  0.149933  0.345341  1
  Mo  Mo126  1  0.597920  0.816503  0.345363  1
  Mo  Mo127  1  0.122158  0.740075  0.334061  1
  Mo  Mo128  1  0.644803  0.537300  0.401009  1
  Mo  Mo129  1  0.740749  0.727657  0.356325  1
  Mo  Mo130  1  0.121984  0.239842  0.333854  1
  Mo  Mo131  1  0.073634  0.394485  0.356442  1
  Mo  Mo132  1  0.025556  0.549494  0.378843  1
  Mo  Mo133  1  0.455088  0.406514  0.333893  1
  Mo  Mo134  1  0.407273  0.561121  0.356395  1
  Mo  Mo135  1  0.359151  0.715904  0.379231  1
  Mo  Mo136  1  0.788608  0.073015  0.333808  1
  Mo  Mo137  1  0.740670  0.227929  0.356508  1
  Mo  Mo138  1  0.692752  0.382471  0.379137  1
  Mo  Mo139  1  0.073865  0.894597  0.356528  1
  Mo  Mo140  1  0.026060  0.049174  0.379124  1
  Mo  Mo141  1  0.455328  0.906292  0.333936  1
  Mo  Mo142  1  0.406924  0.061169  0.356420  1
  Mo  Mo143  1  0.359310  0.215835  0.379057  1
  Mo  Mo144  1  0.692721  0.882442  0.379091  1
  Mo  Mo145  1  0.787386  0.697935  0.412333  1
  Mo  Mo146  1  0.453992  0.531261  0.412349  1
  Mo  Mo147  1  0.406240  0.685979  0.434798  1
  Mo  Mo148  1  0.787352  0.198014  0.412425  1
  Mo  Mo149  1  0.739619  0.352647  0.434775  1
  Mo  Mo150  1  0.691589  0.507409  0.456996  1
  Mo  Mo151  1  0.120587  0.364656  0.412349  1
  Mo  Mo152  1  0.072754  0.519381  0.434697  1
  Mo  Mo153  1  0.024971  0.674001  0.457063  1
  Mo  Mo154  1  0.453915  0.031306  0.412369  1
  Mo  Mo155  1  0.406213  0.186005  0.434757  1
  Mo  Mo156  1  0.358211  0.340774  0.457075  1
  Mo  Mo157  1  0.739571  0.852638  0.434789  1
  Mo  Mo158  1  0.691557  0.007410  0.457137  1
  Mo  Mo159  1  0.120606  0.864717  0.412488  1
  Mo  Mo160  1  0.072928  0.019365  0.434789  1
  Mo  Mo161  1  0.024943  0.174083  0.457006  1
  Mo  Mo162  1  0.358234  0.840794  0.457082  1
  Mo  Mo163  1  0.930034  0.608698  0.423541  1
  Mo  Mo164  1  0.596749  0.442080  0.423527  1
  Mo  Mo165  1  0.548931  0.596625  0.445873  1
  Mo  Mo166  1  0.930054  0.108737  0.423557  1
  Mo  Mo167  1  0.882293  0.263345  0.445864  1
  Mo  Mo168  1  0.834326  0.418093  0.468199  1
  Mo  Mo169  1  0.263376  0.275418  0.423543  1
  Mo  Mo170  1  0.215535  0.430015  0.445918  1
  Mo  Mo171  1  0.167655  0.584726  0.468212  1
  Mo  Mo172  1  0.596716  0.942006  0.423609  1
  Mo  Mo173  1  0.548860  0.096679  0.445913  1
  Mo  Mo174  1  0.500934  0.251464  0.468271  1
  Mo  Mo175  1  0.882248  0.763303  0.445882  1
  Mo  Mo176  1  0.834271  0.918137  0.468303  1
  Mo  Mo177  1  0.263311  0.775435  0.423631  1
  Mo  Mo178  1  0.215590  0.930044  0.445931  1
  Mo  Mo179  1  0.311289  0.120541  0.401180  1
  Mo  Mo180  1  0.644798  0.787150  0.401210  1
  Mo  Mo181  1  0.739378  0.602708  0.434686  1
  Mo  Mo182  1  0.406107  0.436023  0.434617  1
  Mo  Mo183  1  0.358256  0.590691  0.457052  1
  Mo  Mo184  1  0.739567  0.102619  0.434771  1
  Mo  Mo185  1  0.691550  0.257408  0.457087  1
  Mo  Mo186  1  0.787492  0.447974  0.412316  1
  Mo  Mo187  1  0.072731  0.269388  0.434582  1
  Mo  Mo188  1  0.024847  0.424084  0.457006  1
  Mo  Mo189  1  0.120813  0.614617  0.412299  1
  Mo  Mo190  1  0.406083  0.936053  0.434636  1
  Mo  Mo191  1  0.358211  0.090735  0.457058  1
  Mo  Mo192  1  0.453971  0.281489  0.412394  1
  Mo  Mo193  1  0.691582  0.757382  0.457079  1
  Mo  Mo194  1  0.787315  0.948106  0.412443  1
  Mo  Mo195  1  0.072855  0.769271  0.434784  1
  Mo  Mo196  1  0.024856  0.924130  0.457126  1
  Mo  Mo197  1  0.120780  0.114735  0.412269  1
  Mo  Mo198  1  0.454038  0.781434  0.412371  1
  Mo  Mo199  1  0.978148  0.703742  0.401171  1
  Mo  Mo200  1  0.500929  0.501389  0.468218  1
  Mo  Mo201  1  0.596629  0.692034  0.423547  1
  Mo  Mo202  1  0.978117  0.203970  0.401057  1
  Mo  Mo203  1  0.930065  0.358710  0.423391  1
  Mo  Mo204  1  0.882228  0.513370  0.445887  1
  Mo  Mo205  1  0.311379  0.370710  0.401141  1
  Mo  Mo206  1  0.263454  0.525307  0.423483  1
  Mo  Mo207  1  0.215591  0.680011  0.445863  1
  Mo  Mo208  1  0.644724  0.037211  0.401248  1
  Mo  Mo209  1  0.596712  0.191988  0.423609  1
  Mo  Mo210  1  0.548852  0.346785  0.445848  1
  Mo  Mo211  1  0.929995  0.858688  0.423634  1
  Mo  Mo212  1  0.882217  0.013433  0.445900  1
  Mo  Mo213  1  0.311466  0.870670  0.401135  1
  Mo  Mo214  1  0.263373  0.025333  0.423451  1
  Mo  Mo215  1  0.215520  0.180105  0.445814  1
  Mo  Mo216  1  0.548870  0.846742  0.445874  1
  Mo  Mo217  1  0.643617  0.662120  0.479413  1
  Mo  Mo218  1  0.310338  0.495405  0.479387  1
  Mo  Mo219  1  0.262437  0.650151  0.501747  1
  Mo  Mo220  1  0.643638  0.162101  0.479451  1
  Mo  Mo221  1  0.595721  0.316840  0.501747  1
  Mo  Mo222  1  0.547837  0.471515  0.524077  1
  Mo  Mo223  1  0.976987  0.328775  0.479333  1
  Mo  Mo224  1  0.929077  0.483509  0.501750  1
  Mo  Mo225  1  0.881170  0.638204  0.524098  1
  Mo  Mo226  1  0.310313  0.995471  0.479399  1
  Mo  Mo227  1  0.262429  0.150183  0.501722  1
  Mo  Mo228  1  0.214490  0.304850  0.524097  1
  Mo  Mo229  1  0.595733  0.816867  0.501768  1
  Mo  Mo230  1  0.547832  0.971525  0.524141  1
  Mo  Mo231  1  0.976978  0.828777  0.479445  1
  Mo  Mo232  1  0.929051  0.983561  0.501806  1
  Mo  Mo233  1  0.881159  0.138193  0.524123  1
  Mo  Mo234  1  0.214507  0.804878  0.524123  1
  Mo  Mo235  1  0.786335  0.572818  0.490563  1
  Mo  Mo236  1  0.453020  0.406122  0.490561  1
  Mo  Mo237  1  0.405104  0.560836  0.512910  1
  Mo  Mo238  1  0.786373  0.072805  0.490643  1
  Mo  Mo239  1  0.738415  0.227515  0.512922  1
  Mo  Mo240  1  0.690589  0.382208  0.535221  1
  Mo  Mo241  1  0.119698  0.239464  0.490519  1
  Mo  Mo242  1  0.071741  0.394191  0.512903  1
  Mo  Mo243  1  0.023913  0.548900  0.535285  1
  Mo  Mo244  1  0.453007  0.906169  0.490586  1
  Mo  Mo245  1  0.405139  0.060845  0.512953  1
  Mo  Mo246  1  0.357270  0.215565  0.535294  1
  Mo  Mo247  1  0.738458  0.727523  0.512949  1
  Mo  Mo248  1  0.690586  0.882240  0.535315  1
  Mo  Mo249  1  0.119746  0.739429  0.490606  1
  Mo  Mo250  1  0.071734  0.894249  0.512955  1
  Mo  Mo251  1  0.167648  0.084807  0.468202  1
  Mo  Mo252  1  0.500931  0.751481  0.468260  1
  Mo  Mo253  1  0.595759  0.566803  0.501747  1
  Mo  Mo254  1  0.262400  0.400129  0.501786  1
  Mo  Mo255  1  0.214550  0.554853  0.524103  1
  Mo  Mo256  1  0.595721  0.066825  0.501803  1
  Mo  Mo257  1  0.547841  0.221531  0.524178  1
  Mo  Mo258  1  0.643679  0.412125  0.479386  1
  Mo  Mo259  1  0.929138  0.233446  0.501739  1
  Mo  Mo260  1  0.881208  0.388210  0.524060  1
  Mo  Mo261  1  0.977000  0.578776  0.479411  1
  Mo  Mo262  1  0.262429  0.900188  0.501809  1
  Mo  Mo263  1  0.214518  0.054912  0.524122  1
  Mo  Mo264  1  0.310340  0.245464  0.479411  1
  Mo  Mo265  1  0.547845  0.721570  0.524132  1
  Mo  Mo266  1  0.643673  0.912117  0.479454  1
  Mo  Mo267  1  0.929087  0.733472  0.501758  1
  Mo  Mo268  1  0.881206  0.888214  0.524163  1
  Mo  Mo269  1  0.977007  0.078822  0.479427  1
  Mo  Mo270  1  0.310338  0.745467  0.479439  1
  Mo  Mo271  1  0.834250  0.668083  0.468231  1
  Mo  Mo272  1  0.357223  0.465500  0.535279  1
  Mo  Mo273  1  0.453086  0.656118  0.490595  1
  Mo  Mo274  1  0.834281  0.168088  0.468260  1
  Mo  Mo275  1  0.786438  0.322774  0.490572  1
  Mo  Mo276  1  0.738444  0.477544  0.512891  1
  Mo  Mo277  1  0.167554  0.334752  0.468220  1
  Mo  Mo278  1  0.119692  0.489464  0.490577  1
  Mo  Mo279  1  0.071835  0.644156  0.512940  1
  Mo  Mo280  1  0.500897  1.001424  0.468256  1
  Mo  Mo281  1  0.453072  0.156131  0.490623  1
  Mo  Mo282  1  0.405135  0.310841  0.512980  1
  Mo  Mo283  1  0.786423  0.822785  0.490625  1
  Mo  Mo284  1  0.738472  0.977529  0.513000  1
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  Mo  Mo504  1  0.976339  0.703097  0.711861  1
