# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.36954267
_cell_length_b   19.84762862
_cell_length_c   45.37590486
_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   Mo288
_cell_volume   10080.695952
_cell_formula_units_Z   288
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  0.120455  0.744030  0.281318  1
  Mo  Mo2  1  0.636183  0.535153  0.335181  1
  Mo  Mo3  1  0.734717  0.731131  0.299021  1
  Mo  Mo4  1  0.969092  0.202642  0.337049  1
  Mo  Mo5  1  0.069552  0.397155  0.299076  1
  Mo  Mo6  1  0.020282  0.547766  0.317134  1
  Mo  Mo7  1  0.454236  0.410683  0.282751  1
  Mo  Mo8  1  0.407998  0.559682  0.299248  1
  Mo  Mo9  1  0.350739  0.713794  0.316523  1
  Mo  Mo10  1  0.635333  0.036070  0.337176  1
  Mo  Mo11  1  0.736744  0.230924  0.299150  1
  Mo  Mo12  1  0.683768  0.382142  0.316461  1
  Mo  Mo13  1  0.070302  0.894863  0.298852  1
  Mo  Mo14  1  0.021069  0.047284  0.316936  1
  Mo  Mo15  1  0.302276  0.869409  0.337080  1
  Mo  Mo16  1  0.402975  0.064109  0.299159  1
  Mo  Mo17  1  0.354783  0.213973  0.317076  1
  Mo  Mo18  1  0.686166  0.881596  0.317260  1
  Mo  Mo19  1  0.952149  0.661171  0.282005  1
  Mo  Mo20  1  0.469383  0.452320  0.337148  1
  Mo  Mo21  1  0.569878  0.646997  0.299555  1
  Mo  Mo22  1  0.952574  0.161885  0.283591  1
  Mo  Mo23  1  0.906884  0.310075  0.299164  1
  Mo  Mo24  1  0.853140  0.463950  0.317044  1
  Mo  Mo25  1  0.287264  0.327912  0.282090  1
  Mo  Mo26  1  0.238490  0.477817  0.298849  1
  Mo  Mo27  1  0.184752  0.630622  0.316369  1
  Mo  Mo28  1  0.618961  0.995292  0.283627  1
  Mo  Mo29  1  0.574786  0.142891  0.299180  1
  Mo  Mo30  1  0.517502  0.297378  0.316688  1
  Mo  Mo31  1  0.903370  0.811615  0.298725  1
  Mo  Mo32  1  0.849191  0.965542  0.316302  1
  Mo  Mo33  1  0.287204  0.828160  0.282726  1
  Mo  Mo34  1  0.240270  0.976673  0.299187  1
  Mo  Mo35  1  0.182732  0.131681  0.316237  1
  Mo  Mo36  1  0.515284  0.798944  0.316530  1
  Mo  Mo37  1  0.972325  0.703765  0.335479  1
  Mo  Mo38  1  0.495254  0.500936  0.391421  1
  Mo  Mo39  1  0.590704  0.691397  0.353657  1
  Mo  Mo40  1  0.827871  0.167192  0.391144  1
  Mo  Mo41  1  0.924219  0.358015  0.353707  1
  Mo  Mo42  1  0.875517  0.512827  0.372113  1
  Mo  Mo43  1  0.305362  0.369846  0.335831  1
  Mo  Mo44  1  0.257304  0.525040  0.354044  1
  Mo  Mo45  1  0.209368  0.679197  0.372427  1
  Mo  Mo46  1  0.494235  1.000440  0.391190  1
  Mo  Mo47  1  0.591684  0.191242  0.353908  1
  Mo  Mo48  1  0.543243  0.345470  0.372641  1
  Mo  Mo49  1  0.923858  0.858578  0.353852  1
  Mo  Mo50  1  0.875780  0.012835  0.372313  1
  Mo  Mo51  1  0.161014  0.834060  0.391476  1
  Mo  Mo52  1  0.257729  0.024986  0.353787  1
  Mo  Mo53  1  0.209260  0.179409  0.372235  1
  Mo  Mo54  1  0.542505  0.846006  0.372371  1
  Mo  Mo55  1  0.804803  0.619045  0.333662  1
  Mo  Mo56  1  0.327826  0.417269  0.391564  1
  Mo  Mo57  1  0.423863  0.608105  0.353810  1
  Mo  Mo58  1  0.805319  0.118881  0.334167  1
  Mo  Mo59  1  0.756853  0.275061  0.353891  1
  Mo  Mo60  1  0.709719  0.429139  0.372418  1
  Mo  Mo61  1  0.139229  0.285583  0.333907  1
  Mo  Mo62  1  0.091152  0.441059  0.353988  1
  Mo  Mo63  1  0.042087  0.596065  0.372281  1
  Mo  Mo64  1  0.471192  0.952390  0.334238  1
  Mo  Mo65  1  0.423278  0.108097  0.353992  1
  Mo  Mo66  1  0.375836  0.262500  0.372473  1
  Mo  Mo67  1  0.756934  0.774516  0.353804  1
  Mo  Mo68  1  0.709150  0.929011  0.372573  1
  Mo  Mo69  1  0.138909  0.786675  0.335692  1
  Mo  Mo70  1  0.089703  0.941739  0.353932  1
  Mo  Mo71  1  0.042668  0.095700  0.372486  1
  Mo  Mo72  1  0.376422  0.762168  0.372564  1
  Mo  Mo73  1  0.828261  0.667213  0.390603  1
  Mo  Mo74  1  0.352021  0.465158  0.446913  1
  Mo  Mo75  1  0.447695  0.655505  0.409589  1
  Mo  Mo76  1  0.685455  0.131805  0.446889  1
  Mo  Mo77  1  0.781129  0.322182  0.409639  1
  Mo  Mo78  1  0.733332  0.477076  0.428118  1
  Mo  Mo79  1  0.161563  0.333776  0.390840  1
  Mo  Mo80  1  0.113733  0.488960  0.409600  1
  Mo  Mo81  1  0.066189  0.643664  0.428108  1
  Mo  Mo82  1  0.352005  0.965155  0.446880  1
  Mo  Mo83  1  0.447463  0.155526  0.409627  1
  Mo  Mo84  1  0.399702  0.310206  0.428281  1
  Mo  Mo85  1  0.780760  0.822111  0.409569  1
  Mo  Mo86  1  0.732998  0.977013  0.428203  1
  Mo  Mo87  1  0.018556  0.798426  0.446854  1
  Mo  Mo88  1  0.114083  0.988965  0.409642  1
  Mo  Mo89  1  0.066390  0.143770  0.428166  1
  Mo  Mo90  1  0.399813  0.810325  0.428205  1
  Mo  Mo91  1  0.662179  0.584138  0.390581  1
  Mo  Mo92  1  0.185179  0.381715  0.446828  1
  Mo  Mo93  1  0.280575  0.572303  0.409659  1
  Mo  Mo94  1  0.662065  0.084346  0.391272  1
  Mo  Mo95  1  0.614105  0.238903  0.409724  1
  Mo  Mo96  1  0.566656  0.393621  0.428275  1
  Mo  Mo97  1  0.995626  0.251125  0.391132  1
  Mo  Mo98  1  0.947470  0.405688  0.409561  1
  Mo  Mo99  1  0.899622  0.560378  0.428039  1
  Mo  Mo100  1  0.328523  0.917739  0.391229  1
  Mo  Mo101  1  0.280512  0.072407  0.409665  1
  Mo  Mo102  1  0.233168  0.226995  0.428200  1
  Mo  Mo103  1  0.614265  0.738804  0.409530  1
  Mo  Mo104  1  0.566482  0.893544  0.428246  1
  Mo  Mo105  1  0.994803  0.750874  0.391103  1
  Mo  Mo106  1  0.947136  0.905722  0.409674  1
  Mo  Mo107  1  0.899866  0.060312  0.428247  1
  Mo  Mo108  1  0.233094  0.726906  0.428236  1
  Mo  Mo109  1  0.685624  0.631738  0.446596  1
  Mo  Mo110  1  0.209071  0.429451  0.502539  1
  Mo  Mo111  1  0.304474  0.619909  0.465333  1
  Mo  Mo112  1  0.542555  0.096131  0.502524  1
  Mo  Mo113  1  0.637941  0.286600  0.465402  1
  Mo  Mo114  1  0.590324  0.441384  0.483931  1
  Mo  Mo115  1  0.018887  0.298524  0.446809  1
  Mo  Mo116  1  0.971081  0.453278  0.465348  1
  Mo  Mo117  1  0.923459  0.607995  0.483862  1
  Mo  Mo118  1  0.209196  0.929532  0.502557  1
  Mo  Mo119  1  0.304456  0.119953  0.465379  1
  Mo  Mo120  1  0.256812  0.274686  0.483981  1
  Mo  Mo121  1  0.637881  0.786505  0.465312  1
  Mo  Mo122  1  0.590209  0.941344  0.483943  1
  Mo  Mo123  1  0.875819  0.762766  0.502460  1
  Mo  Mo124  1  0.971126  0.953278  0.465387  1
  Mo  Mo125  1  0.923584  0.108081  0.483961  1
  Mo  Mo126  1  0.256850  0.774700  0.483924  1
  Mo  Mo127  1  0.519063  0.548544  0.446763  1
  Mo  Mo128  1  0.042457  0.346164  0.502586  1
  Mo  Mo129  1  0.137653  0.536575  0.465335  1
  Mo  Mo130  1  0.518731  0.048445  0.446814  1
  Mo  Mo131  1  0.471156  0.203226  0.465403  1
  Mo  Mo132  1  0.423520  0.358018  0.483969  1
  Mo  Mo133  1  0.852254  0.215156  0.446802  1
  Mo  Mo134  1  0.804614  0.369953  0.465362  1
  Mo  Mo135  1  0.756941  0.524700  0.483885  1
  Mo  Mo136  1  0.185399  0.881859  0.446877  1
  Mo  Mo137  1  0.137773  0.036656  0.465386  1
  Mo  Mo138  1  0.090196  0.191408  0.483951  1
  Mo  Mo139  1  0.471258  0.703242  0.465307  1
  Mo  Mo140  1  0.423543  0.858011  0.483942  1
  Mo  Mo141  1  0.852036  0.715016  0.446659  1
  Mo  Mo142  1  0.804439  0.869888  0.465348  1
  Mo  Mo143  1  0.756887  0.024691  0.483956  1
  Mo  Mo144  1  0.090097  0.691318  0.483895  1
  Mo  Mo145  1  0.542678  0.596148  0.502433  1
  Mo  Mo146  1  0.066015  0.393826  0.558378  1
  Mo  Mo147  1  0.161499  0.584254  0.521051  1
  Mo  Mo148  1  0.399542  0.060428  0.558224  1
  Mo  Mo149  1  0.494984  0.250973  0.521108  1
  Mo  Mo150  1  0.447366  0.405733  0.539663  1
  Mo  Mo151  1  0.875969  0.262883  0.502555  1
  Mo  Mo152  1  0.828264  0.417597  0.521142  1
  Mo  Mo153  1  0.780635  0.572320  0.539643  1
  Mo  Mo154  1  0.066377  0.893897  0.558244  1
  Mo  Mo155  1  0.161563  0.084319  0.521113  1
  Mo  Mo156  1  0.113831  0.239084  0.539727  1
  Mo  Mo157  1  0.494958  0.750943  0.521043  1
  Mo  Mo158  1  0.447316  0.905699  0.539663  1
  Mo  Mo159  1  0.733000  0.727156  0.558181  1
  Mo  Mo160  1  0.828272  0.917623  0.521087  1
  Mo  Mo161  1  0.780760  0.072401  0.539683  1
  Mo  Mo162  1  0.113908  0.739074  0.539611  1
  Mo  Mo163  1  0.375920  0.512827  0.502494  1
  Mo  Mo164  1  0.899590  0.310587  0.558417  1
  Mo  Mo165  1  0.994791  0.500892  0.521100  1
  Mo  Mo166  1  0.375877  0.012828  0.502534  1
  Mo  Mo167  1  0.328190  0.167609  0.521113  1
  Mo  Mo168  1  0.280517  0.322390  0.539689  1
  Mo  Mo169  1  0.709347  0.179529  0.502538  1
  Mo  Mo170  1  0.661707  0.334319  0.521125  1
  Mo  Mo171  1  0.614086  0.489006  0.539656  1
  Mo  Mo172  1  0.042532  0.846173  0.502514  1
  Mo  Mo173  1  0.994958  1.000980  0.521123  1
  Mo  Mo174  1  0.947347  0.155794  0.539705  1
  Mo  Mo175  1  0.328250  0.667620  0.521023  1
  Mo  Mo176  1  0.280609  0.822439  0.539649  1
  Mo  Mo177  1  0.709275  0.679436  0.502420  1
  Mo  Mo178  1  0.661587  0.834242  0.521058  1
  Mo  Mo179  1  0.613993  0.989031  0.539663  1
  Mo  Mo180  1  0.947194  0.655670  0.539608  1
  Mo  Mo181  1  0.399812  0.560524  0.558133  1
  Mo  Mo182  1  0.922917  0.358235  0.614520  1
  Mo  Mo183  1  0.018382  0.548602  0.576803  1
  Mo  Mo184  1  0.256630  0.024874  0.614302  1
  Mo  Mo185  1  0.351880  0.215366  0.576783  1
  Mo  Mo186  1  0.304264  0.370063  0.595348  1
  Mo  Mo187  1  0.733297  0.227315  0.558264  1
  Mo  Mo188  1  0.685531  0.381956  0.576958  1
  Mo  Mo189  1  0.637935  0.536501  0.595384  1
  Mo  Mo190  1  0.923154  0.857859  0.613795  1
  Mo  Mo191  1  0.018844  0.048727  0.576863  1
  Mo  Mo192  1  0.970950  0.203452  0.595521  1
  Mo  Mo193  1  0.351893  0.715440  0.576715  1
  Mo  Mo194  1  0.304529  0.870046  0.595384  1
  Mo  Mo195  1  0.589739  0.691299  0.613742  1
  Mo  Mo196  1  0.685300  0.882014  0.576783  1
  Mo  Mo197  1  0.637912  0.036575  0.595354  1
  Mo  Mo198  1  0.971026  0.703298  0.595294  1
  Mo  Mo199  1  0.232839  0.477098  0.558152  1
  Mo  Mo200  1  0.756997  0.275236  0.614319  1
  Mo  Mo201  1  0.851987  0.465174  0.576967  1
  Mo  Mo202  1  0.233105  0.977260  0.558289  1
  Mo  Mo203  1  0.185215  0.131956  0.576880  1
  Mo  Mo204  1  0.137257  0.286832  0.595464  1
  Mo  Mo205  1  0.566484  0.143819  0.558127  1
  Mo  Mo206  1  0.518851  0.298753  0.576818  1
  Mo  Mo207  1  0.471214  0.453346  0.595379  1
  Mo  Mo208  1  0.899696  0.810498  0.558131  1
  Mo  Mo209  1  0.852185  0.965266  0.576860  1
  Mo  Mo210  1  0.804654  0.120094  0.595408  1
  Mo  Mo211  1  0.185278  0.632031  0.576725  1
  Mo  Mo212  1  0.137541  0.786846  0.595371  1
  Mo  Mo213  1  0.566456  0.643809  0.558101  1
  Mo  Mo214  1  0.518774  0.798612  0.576817  1
  Mo  Mo215  1  0.470954  0.953367  0.595421  1
  Mo  Mo216  1  0.804166  0.620030  0.595388  1
  Mo  Mo217  1  0.256527  0.524758  0.613468  1
  Mo  Mo218  1  0.779888  0.323426  0.671459  1
  Mo  Mo219  1  0.875799  0.512962  0.632716  1
  Mo  Mo220  1  0.114290  0.989854  0.671038  1
  Mo  Mo221  1  0.208859  0.179803  0.632593  1
  Mo  Mo222  1  0.161071  0.334011  0.651215  1
  Mo  Mo223  1  0.590798  0.191611  0.613519  1
  Mo  Mo224  1  0.542839  0.346361  0.632667  1
  Mo  Mo225  1  0.494060  0.500940  0.650884  1
  Mo  Mo226  1  0.780020  0.823415  0.670880  1
  Mo  Mo227  1  0.876089  0.013169  0.632525  1
  Mo  Mo228  1  0.827395  0.167807  0.651075  1
  Mo  Mo229  1  0.208897  0.680057  0.632372  1
  Mo  Mo230  1  0.161859  0.834112  0.651052  1
  Mo  Mo231  1  0.446518  0.656769  0.670760  1
  Mo  Mo232  1  0.542490  0.846665  0.632522  1
  Mo  Mo233  1  0.494812  1.000764  0.651172  1
  Mo  Mo234  1  0.828355  0.667326  0.651052  1
  Mo  Mo235  1  0.089844  0.441609  0.614099  1
  Mo  Mo236  1  0.613224  0.238969  0.669268  1
  Mo  Mo237  1  0.709637  0.429397  0.632969  1
  Mo  Mo238  1  0.090900  0.941870  0.613923  1
  Mo  Mo239  1  0.043017  0.096095  0.632769  1
  Mo  Mo240  1  0.994169  0.251029  0.651329  1
  Mo  Mo241  1  0.423458  0.108009  0.613582  1
  Mo  Mo242  1  0.375310  0.263453  0.632424  1
  Mo  Mo243  1  0.326940  0.417499  0.651032  1
  Mo  Mo244  1  0.757423  0.775149  0.613849  1
  Mo  Mo245  1  0.709320  0.929464  0.632729  1
  Mo  Mo246  1  0.661464  0.083486  0.651060  1
  Mo  Mo247  1  0.042105  0.596460  0.632571  1
  Mo  Mo248  1  0.993692  0.750629  0.651193  1
  Mo  Mo249  1  0.424024  0.608641  0.613729  1
  Mo  Mo250  1  0.375870  0.762910  0.632654  1
  Mo  Mo251  1  0.327240  0.917412  0.651213  1
  Mo  Mo252  1  0.660089  0.584277  0.651116  1
  Mo  Mo253  1  0.115467  0.490750  0.669685  1
  Mo  Mo254  1  0.631235  0.280619  0.722973  1
  Mo  Mo255  1  0.731047  0.478287  0.687998  1
  Mo  Mo256  1  0.965801  0.946560  0.721400  1
  Mo  Mo257  1  0.065898  0.143838  0.687801  1
  Mo  Mo258  1  0.015545  0.294566  0.705455  1
  Mo  Mo259  1  0.449451  0.156469  0.667878  1
  Mo  Mo260  1  0.400192  0.311583  0.688485  1
  Mo  Mo261  1  0.342055  0.465918  0.705731  1
  Mo  Mo262  1  0.632821  0.780307  0.721364  1
  Mo  Mo263  1  0.734611  0.976994  0.688844  1
  Mo  Mo264  1  0.680340  0.130443  0.706164  1
  Mo  Mo265  1  0.068519  0.643571  0.688611  1
  Mo  Mo266  1  0.010716  0.798694  0.705830  1
  Mo  Mo267  1  0.298207  0.613740  0.721324  1
  Mo  Mo268  1  0.402904  0.809670  0.688618  1
  Mo  Mo269  1  0.347559  0.961899  0.705414  1
  Mo  Mo270  1  0.677283  0.632268  0.705773  1
  Mo  Mo271  1  0.949350  0.407195  0.670117  1
  Mo  Mo272  1  0.464672  0.197819  0.722284  1
  Mo  Mo273  1  0.563016  0.394852  0.688013  1
  Mo  Mo274  1  0.949686  0.906069  0.667905  1
  Mo  Mo275  1  0.898307  0.060477  0.687804  1
  Mo  Mo276  1  0.849200  0.211148  0.705977  1
  Mo  Mo277  1  0.282801  0.073621  0.669721  1
  Mo  Mo278  1  0.235402  0.226538  0.688511  1
  Mo  Mo279  1  0.180297  0.378241  0.705321  1
  Mo  Mo280  1  0.616423  0.739670  0.667862  1
  Mo  Mo281  1  0.564403  0.895095  0.688054  1
  Mo  Mo282  1  0.510911  0.048714  0.705732  1
  Mo  Mo283  1  0.897190  0.560864  0.687859  1
  Mo  Mo284  1  0.848662  0.710977  0.705818  1
  Mo  Mo285  1  0.282810  0.573251  0.667698  1
  Mo  Mo286  1  0.230446  0.727707  0.687846  1
  Mo  Mo287  1  0.182176  0.877614  0.705879  1
  Mo  Mo288  1  0.513880  0.544986  0.705818  1
