# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93388195
_cell_length_b   9.93343761
_cell_length_c   48.47196655
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo
_chemical_formula_sum   Mo144
_cell_volume   4759.1215878
_cell_formula_units_Z   144
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  0.015744  0.349533  0.310885  1
  Mo  Mo2  1  0.349375  0.015903  0.310885  1
  Mo  Mo3  1  0.423516  0.423671  0.273180  1
  Mo  Mo4  1  0.684469  0.684627  0.313082  1
  Mo  Mo5  1  0.758203  0.089009  0.274519  1
  Mo  Mo6  1  0.718438  0.381942  0.291462  1
  Mo  Mo7  1  0.088852  0.758360  0.274519  1
  Mo  Mo8  1  0.050623  0.050782  0.291660  1
  Mo  Mo9  1  0.381784  0.718597  0.291462  1
  Mo  Mo10  1  0.835779  0.168633  0.322681  1
  Mo  Mo11  1  0.168474  0.835938  0.322681  1
  Mo  Mo12  1  0.238781  0.238936  0.282847  1
  Mo  Mo13  1  0.607578  0.607735  0.264906  1
  Mo  Mo14  1  0.575853  0.898518  0.282435  1
  Mo  Mo15  1  0.533367  0.197869  0.301191  1
  Mo  Mo16  1  0.898359  0.576009  0.282435  1
  Mo  Mo17  1  0.867207  0.867364  0.301859  1
  Mo  Mo18  1  0.197711  0.533525  0.301191  1
  Mo  Mo19  1  0.928146  0.261527  0.370473  1
  Mo  Mo20  1  0.261367  0.928306  0.370473  1
  Mo  Mo21  1  0.322203  0.322362  0.330660  1
  Mo  Mo22  1  0.594125  0.594285  0.370647  1
  Mo  Mo23  1  0.654383  0.988874  0.331091  1
  Mo  Mo24  1  0.624132  0.292059  0.350500  1
  Mo  Mo25  1  0.988715  0.654541  0.331091  1
  Mo  Mo26  1  0.958089  0.958248  0.350830  1
  Mo  Mo27  1  0.291899  0.624291  0.350500  1
  Mo  Mo28  1  0.745256  0.079392  0.380478  1
  Mo  Mo29  1  0.079231  0.745416  0.380478  1
  Mo  Mo30  1  0.140371  0.140531  0.340490  1
  Mo  Mo31  1  0.504039  0.504198  0.321140  1
  Mo  Mo32  1  0.472776  0.807451  0.340723  1
  Mo  Mo33  1  0.442440  0.109801  0.360214  1
  Mo  Mo34  1  0.807291  0.472936  0.340723  1
  Mo  Mo35  1  0.776643  0.776803  0.360853  1
  Mo  Mo36  1  0.109641  0.442600  0.360214  1
  Mo  Mo37  1  0.836987  0.170551  0.429333  1
  Mo  Mo38  1  0.170388  0.837149  0.429333  1
  Mo  Mo39  1  0.230950  0.231111  0.389828  1
  Mo  Mo40  1  0.503502  0.503664  0.429313  1
  Mo  Mo41  1  0.563909  0.897688  0.390013  1
  Mo  Mo42  1  0.533620  0.200838  0.409560  1
  Mo  Mo43  1  0.897527  0.564070  0.390013  1
  Mo  Mo44  1  0.867267  0.867428  0.409778  1
  Mo  Mo45  1  0.200677  0.533782  0.409560  1
  Mo  Mo46  1  0.654992  0.988661  0.439180  1
  Mo  Mo47  1  0.988498  0.655155  0.439180  1
  Mo  Mo48  1  0.049139  0.049300  0.399772  1
  Mo  Mo49  1  0.412462  0.412623  0.380063  1
  Mo  Mo50  1  0.382252  0.715815  0.399782  1
  Mo  Mo51  1  0.352153  0.019114  0.419424  1
  Mo  Mo52  1  0.715654  0.382413  0.399782  1
  Mo  Mo53  1  0.685412  0.685574  0.419561  1
  Mo  Mo54  1  0.018952  0.352315  0.419424  1
  Mo  Mo55  1  0.746167  0.079684  0.488235  1
  Mo  Mo56  1  0.079520  0.746331  0.488235  1
  Mo  Mo57  1  0.140091  0.140254  0.448875  1
  Mo  Mo58  1  0.412845  0.413009  0.488208  1
  Mo  Mo59  1  0.473303  0.806845  0.448931  1
  Mo  Mo60  1  0.443078  0.109981  0.468551  1
  Mo  Mo61  1  0.806682  0.473466  0.448931  1
  Mo  Mo62  1  0.776410  0.776574  0.468629  1
  Mo  Mo63  1  0.109818  0.443241  0.468551  1
  Mo  Mo64  1  0.564359  0.897858  0.498062  1
  Mo  Mo65  1  0.897693  0.564523  0.498062  1
  Mo  Mo66  1  0.958275  0.958438  0.458767  1
  Mo  Mo67  1  0.321816  0.321978  0.439057  1
  Mo  Mo68  1  0.291551  0.625023  0.458731  1
  Mo  Mo69  1  0.261343  0.928178  0.478382  1
  Mo  Mo70  1  0.624860  0.291714  0.458731  1
  Mo  Mo71  1  0.594619  0.594783  0.478417  1
  Mo  Mo72  1  0.928015  0.261507  0.478382  1
  Mo  Mo73  1  0.655401  0.988850  0.547178  1
  Mo  Mo74  1  0.988684  0.655567  0.547178  1
  Mo  Mo75  1  0.049266  0.049431  0.507827  1
  Mo  Mo76  1  0.322138  0.322304  0.547114  1
  Mo  Mo77  1  0.382607  0.716089  0.507850  1
  Mo  Mo78  1  0.352366  0.019125  0.527474  1
  Mo  Mo79  1  0.715925  0.382772  0.507850  1
  Mo  Mo80  1  0.685633  0.685798  0.527548  1
  Mo  Mo81  1  0.018959  0.352531  0.527474  1
  Mo  Mo82  1  0.473698  0.807036  0.556997  1
  Mo  Mo83  1  0.806869  0.473865  0.556997  1
  Mo  Mo84  1  0.867407  0.867572  0.517697  1
  Mo  Mo85  1  0.231079  0.231243  0.497998  1
  Mo  Mo86  1  0.200795  0.534303  0.517659  1
  Mo  Mo87  1  0.170531  0.837342  0.537309  1
  Mo  Mo88  1  0.534138  0.200960  0.517659  1
  Mo  Mo89  1  0.503926  0.504092  0.537335  1
  Mo  Mo90  1  0.837176  0.170697  0.537309  1
  Mo  Mo91  1  0.564673  0.897879  0.606190  1
  Mo  Mo92  1  0.897711  0.564841  0.606190  1
  Mo  Mo93  1  0.958394  0.958560  0.566724  1
  Mo  Mo94  1  0.231424  0.231592  0.605988  1
  Mo  Mo95  1  0.291939  0.625391  0.566740  1
  Mo  Mo96  1  0.261647  0.928107  0.586373  1
  Mo  Mo97  1  0.625225  0.292106  0.566740  1
  Mo  Mo98  1  0.594934  0.595101  0.586569  1
  Mo  Mo99  1  0.927939  0.261814  0.586373  1
  Mo  Mo100  1  0.383216  0.716130  0.615972  1
  Mo  Mo101  1  0.715962  0.383384  0.615972  1
  Mo  Mo102  1  0.776531  0.776698  0.576678  1
  Mo  Mo103  1  0.140348  0.140514  0.556874  1
  Mo  Mo104  1  0.109917  0.443565  0.576540  1
  Mo  Mo105  1  0.079708  0.746626  0.596288  1
  Mo  Mo106  1  0.443398  0.110084  0.576540  1
  Mo  Mo107  1  0.413272  0.413439  0.596246  1
  Mo  Mo108  1  0.746459  0.079876  0.596288  1
  Mo  Mo109  1  0.473761  0.806311  0.665400  1
  Mo  Mo110  1  0.806141  0.473931  0.665400  1
  Mo  Mo111  1  0.867436  0.867605  0.625612  1
  Mo  Mo112  1  0.140653  0.140823  0.664928  1
  Mo  Mo113  1  0.201302  0.534958  0.625429  1
  Mo  Mo114  1  0.171312  0.837077  0.645460  1
  Mo  Mo115  1  0.534789  0.201471  0.625429  1
  Mo  Mo116  1  0.504257  0.504426  0.645697  1
  Mo  Mo117  1  0.836908  0.171481  0.645460  1
  Mo  Mo118  1  0.291247  0.625598  0.674871  1
  Mo  Mo119  1  0.625428  0.291417  0.674871  1
  Mo  Mo120  1  0.686045  0.686214  0.635936  1
  Mo  Mo121  1  0.049798  0.049966  0.615561  1
  Mo  Mo122  1  0.018530  0.352550  0.635315  1
  Mo  Mo123  1  0.988021  0.656029  0.655402  1
  Mo  Mo124  1  0.352381  0.018699  0.635315  1
  Mo  Mo125  1  0.322370  0.322540  0.655109  1
  Mo  Mo126  1  0.655860  0.988191  0.655403  1
  Mo  Mo127  1  0.371468  0.707284  0.722913  1
  Mo  Mo128  1  0.707110  0.371642  0.722913  1
  Mo  Mo129  1  0.779557  0.779727  0.685259  1
  Mo  Mo130  1  0.040025  0.040197  0.721588  1
  Mo  Mo131  1  0.111296  0.444356  0.683121  1
  Mo  Mo132  1  0.077085  0.747509  0.704594  1
  Mo  Mo133  1  0.444186  0.111466  0.683121  1
  Mo  Mo134  1  0.413140  0.413312  0.704382  1
  Mo  Mo135  1  0.747338  0.077256  0.704594  1
  Mo  Mo136  1  0.188158  0.522122  0.731245  1
  Mo  Mo137  1  0.521950  0.188330  0.731245  1
  Mo  Mo138  1  0.597811  0.597982  0.695196  1
  Mo  Mo139  1  0.960354  0.960524  0.673358  1
  Mo  Mo140  1  0.930847  0.262079  0.694579  1
  Mo  Mo141  1  0.897943  0.554369  0.713759  1
  Mo  Mo142  1  0.261907  0.931018  0.694579  1
  Mo  Mo143  1  0.228597  0.228766  0.714116  1
  Mo  Mo144  1  0.554196  0.898114  0.713759  1
