# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.94272816
_cell_length_b   12.93615205
_cell_length_c   48.41213909
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo
_chemical_formula_sum   Mo216
_cell_volume   8064.97101222
_cell_formula_units_Z   216
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  0.003897  0.504695  0.284831  1
  Mo  Mo2  1  0.337230  0.171362  0.284831  1
  Mo  Mo3  1  0.307841  0.475240  0.306470  1
  Mo  Mo4  1  0.670563  0.838028  0.284831  1
  Mo  Mo5  1  0.641174  0.141907  0.306470  1
  Mo  Mo6  1  0.611425  0.445500  0.332744  1
  Mo  Mo7  1  0.974507  0.808573  0.306470  1
  Mo  Mo8  1  0.944758  0.112166  0.332744  1
  Mo  Mo9  1  0.278091  0.778833  0.332744  1
  Mo  Mo10  1  0.170563  0.338028  0.284831  1
  Mo  Mo11  1  0.503897  0.004695  0.284831  1
  Mo  Mo12  1  0.474507  0.308573  0.306470  1
  Mo  Mo13  1  0.837230  0.671362  0.284831  1
  Mo  Mo14  1  0.807841  0.975240  0.306470  1
  Mo  Mo15  1  0.778091  0.278833  0.332744  1
  Mo  Mo16  1  0.141174  0.641907  0.306470  1
  Mo  Mo17  1  0.111425  0.945500  0.332744  1
  Mo  Mo18  1  0.444758  0.612166  0.332744  1
  Mo  Mo19  1  0.974507  0.308573  0.306470  1
  Mo  Mo20  1  0.307841  0.975240  0.306470  1
  Mo  Mo21  1  0.278091  0.278833  0.332744  1
  Mo  Mo22  1  0.641174  0.641907  0.306470  1
  Mo  Mo23  1  0.611425  0.945500  0.332744  1
  Mo  Mo24  1  0.670563  0.338028  0.284831  1
  Mo  Mo25  1  0.944758  0.612166  0.332744  1
  Mo  Mo26  1  0.003897  0.004695  0.284831  1
  Mo  Mo27  1  0.337230  0.671362  0.284831  1
  Mo  Mo28  1  0.111425  0.445500  0.332744  1
  Mo  Mo29  1  0.444758  0.112166  0.332744  1
  Mo  Mo30  1  0.503897  0.504695  0.284831  1
  Mo  Mo31  1  0.778091  0.778833  0.332744  1
  Mo  Mo32  1  0.837230  0.171362  0.284831  1
  Mo  Mo33  1  0.807841  0.475240  0.306470  1
  Mo  Mo34  1  0.170563  0.838028  0.284831  1
  Mo  Mo35  1  0.141174  0.141907  0.306470  1
  Mo  Mo36  1  0.474507  0.808573  0.306470  1
  Mo  Mo37  1  0.914058  0.414767  0.357895  1
  Mo  Mo38  1  0.247392  0.081433  0.357895  1
  Mo  Mo39  1  0.216895  0.384256  0.384163  1
  Mo  Mo40  1  0.580725  0.748100  0.357895  1
  Mo  Mo41  1  0.550228  0.050923  0.384163  1
  Mo  Mo42  1  0.519406  0.353411  0.409743  1
  Mo  Mo43  1  0.883562  0.717590  0.384163  1
  Mo  Mo44  1  0.852739  0.020077  0.409743  1
  Mo  Mo45  1  0.186072  0.686744  0.409743  1
  Mo  Mo46  1  0.080725  0.248100  0.357895  1
  Mo  Mo47  1  0.414058  0.914767  0.357895  1
  Mo  Mo48  1  0.383562  0.217590  0.384163  1
  Mo  Mo49  1  0.747392  0.581433  0.357895  1
  Mo  Mo50  1  0.716895  0.884256  0.384163  1
  Mo  Mo51  1  0.686072  0.186744  0.409743  1
  Mo  Mo52  1  0.050228  0.550923  0.384163  1
  Mo  Mo53  1  0.019406  0.853411  0.409743  1
  Mo  Mo54  1  0.352739  0.520077  0.409743  1
  Mo  Mo55  1  0.883562  0.217590  0.384163  1
  Mo  Mo56  1  0.216895  0.884256  0.384163  1
  Mo  Mo57  1  0.186072  0.186744  0.409743  1
  Mo  Mo58  1  0.550228  0.550923  0.384163  1
  Mo  Mo59  1  0.519406  0.853411  0.409743  1
  Mo  Mo60  1  0.580725  0.248100  0.357895  1
  Mo  Mo61  1  0.852739  0.520077  0.409743  1
  Mo  Mo62  1  0.914058  0.914767  0.357895  1
  Mo  Mo63  1  0.247392  0.581433  0.357895  1
  Mo  Mo64  1  0.019406  0.353411  0.409743  1
  Mo  Mo65  1  0.352739  0.020077  0.409743  1
  Mo  Mo66  1  0.414058  0.414767  0.357895  1
  Mo  Mo67  1  0.686072  0.686744  0.409743  1
  Mo  Mo68  1  0.747392  0.081433  0.357895  1
  Mo  Mo69  1  0.716895  0.384256  0.384163  1
  Mo  Mo70  1  0.080725  0.748100  0.357895  1
  Mo  Mo71  1  0.050228  0.050923  0.384163  1
  Mo  Mo72  1  0.383562  0.717590  0.384163  1
  Mo  Mo73  1  0.822102  0.322755  0.435737  1
  Mo  Mo74  1  0.155435  0.989421  0.435737  1
  Mo  Mo75  1  0.124679  0.291978  0.461470  1
  Mo  Mo76  1  0.488768  0.656088  0.435737  1
  Mo  Mo77  1  0.458013  0.958644  0.461470  1
  Mo  Mo78  1  0.427338  0.261285  0.487382  1
  Mo  Mo79  1  0.791346  0.625311  0.461470  1
  Mo  Mo80  1  0.760671  0.927951  0.487382  1
  Mo  Mo81  1  0.094004  0.594618  0.487382  1
  Mo  Mo82  1  0.988768  0.156088  0.435737  1
  Mo  Mo83  1  0.322102  0.822755  0.435737  1
  Mo  Mo84  1  0.291346  0.125311  0.461470  1
  Mo  Mo85  1  0.655435  0.489421  0.435737  1
  Mo  Mo86  1  0.624679  0.791978  0.461470  1
  Mo  Mo87  1  0.594004  0.094618  0.487382  1
  Mo  Mo88  1  0.958013  0.458644  0.461470  1
  Mo  Mo89  1  0.927338  0.761285  0.487382  1
  Mo  Mo90  1  0.260671  0.427951  0.487382  1
  Mo  Mo91  1  0.791346  0.125311  0.461470  1
  Mo  Mo92  1  0.124679  0.791978  0.461470  1
  Mo  Mo93  1  0.094004  0.094618  0.487382  1
  Mo  Mo94  1  0.458013  0.458644  0.461470  1
  Mo  Mo95  1  0.427338  0.761285  0.487382  1
  Mo  Mo96  1  0.488768  0.156088  0.435737  1
  Mo  Mo97  1  0.760671  0.427951  0.487382  1
  Mo  Mo98  1  0.822102  0.822755  0.435737  1
  Mo  Mo99  1  0.155435  0.489421  0.435737  1
  Mo  Mo100  1  0.927338  0.261285  0.487382  1
  Mo  Mo101  1  0.260671  0.927951  0.487382  1
  Mo  Mo102  1  0.322102  0.322755  0.435737  1
  Mo  Mo103  1  0.594004  0.594618  0.487382  1
  Mo  Mo104  1  0.655435  0.989421  0.435737  1
  Mo  Mo105  1  0.624679  0.291978  0.461470  1
  Mo  Mo106  1  0.988768  0.656088  0.435737  1
  Mo  Mo107  1  0.958013  0.958644  0.461470  1
  Mo  Mo108  1  0.291346  0.625311  0.461470  1
  Mo  Mo109  1  0.729931  0.230525  0.513152  1
  Mo  Mo110  1  0.063265  0.897192  0.513152  1
  Mo  Mo111  1  0.032590  0.199832  0.539064  1
  Mo  Mo112  1  0.396598  0.563858  0.513152  1
  Mo  Mo113  1  0.365923  0.866499  0.539064  1
  Mo  Mo114  1  0.335167  0.169055  0.564797  1
  Mo  Mo115  1  0.699256  0.533166  0.539064  1
  Mo  Mo116  1  0.668501  0.835722  0.564797  1
  Mo  Mo117  1  1.001834  0.502388  0.564797  1
  Mo  Mo118  1  0.896598  0.063858  0.513152  1
  Mo  Mo119  1  0.229931  0.730525  0.513152  1
  Mo  Mo120  1  0.199256  0.033166  0.539064  1
  Mo  Mo121  1  0.563265  0.397192  0.513152  1
  Mo  Mo122  1  0.532590  0.699832  0.539064  1
  Mo  Mo123  1  0.501834  1.002388  0.564797  1
  Mo  Mo124  1  0.865923  0.366499  0.539064  1
  Mo  Mo125  1  0.835167  0.669055  0.564797  1
  Mo  Mo126  1  0.168501  0.335722  0.564797  1
  Mo  Mo127  1  0.699256  0.033166  0.539064  1
  Mo  Mo128  1  0.032590  0.699832  0.539064  1
  Mo  Mo129  1  1.001834  1.002388  0.564797  1
  Mo  Mo130  1  0.365923  0.366499  0.539064  1
  Mo  Mo131  1  0.335167  0.669055  0.564797  1
  Mo  Mo132  1  0.396598  0.063858  0.513152  1
  Mo  Mo133  1  0.668501  0.335722  0.564797  1
  Mo  Mo134  1  0.729931  0.730525  0.513152  1
  Mo  Mo135  1  0.063265  0.397192  0.513152  1
  Mo  Mo136  1  0.835167  0.169055  0.564797  1
  Mo  Mo137  1  0.168501  0.835722  0.564797  1
  Mo  Mo138  1  0.229931  0.230525  0.513152  1
  Mo  Mo139  1  0.501834  0.502388  0.564797  1
  Mo  Mo140  1  0.563265  0.897192  0.513152  1
  Mo  Mo141  1  0.532590  0.199832  0.539064  1
  Mo  Mo142  1  0.896598  0.563858  0.513152  1
  Mo  Mo143  1  0.865923  0.866499  0.539064  1
  Mo  Mo144  1  0.199256  0.533166  0.539064  1
  Mo  Mo145  1  0.637863  0.138399  0.590791  1
  Mo  Mo146  1  0.971197  0.805066  0.590791  1
  Mo  Mo147  1  0.940374  0.107554  0.616371  1
  Mo  Mo148  1  0.304530  0.471732  0.590791  1
  Mo  Mo149  1  0.273708  0.774220  0.616371  1
  Mo  Mo150  1  0.243211  0.077043  0.642640  1
  Mo  Mo151  1  0.607041  0.440887  0.616371  1
  Mo  Mo152  1  0.576544  0.743710  0.642640  1
  Mo  Mo153  1  0.909878  0.410376  0.642640  1
  Mo  Mo154  1  0.804530  0.971732  0.590791  1
  Mo  Mo155  1  0.137863  0.638399  0.590791  1
  Mo  Mo156  1  0.107041  0.940887  0.616371  1
  Mo  Mo157  1  0.471197  0.305066  0.590791  1
  Mo  Mo158  1  0.440374  0.607554  0.616371  1
  Mo  Mo159  1  0.409878  0.910376  0.642640  1
  Mo  Mo160  1  0.773708  0.274220  0.616371  1
  Mo  Mo161  1  0.743211  0.577043  0.642640  1
  Mo  Mo162  1  0.076544  0.243710  0.642640  1
  Mo  Mo163  1  0.607041  0.940887  0.616371  1
  Mo  Mo164  1  0.940374  0.607554  0.616371  1
  Mo  Mo165  1  0.909878  0.910376  0.642640  1
  Mo  Mo166  1  0.273708  0.274220  0.616371  1
  Mo  Mo167  1  0.243211  0.577043  0.642640  1
  Mo  Mo168  1  0.304530  0.971732  0.590791  1
  Mo  Mo169  1  0.576544  0.243710  0.642640  1
  Mo  Mo170  1  0.637863  0.638399  0.590791  1
  Mo  Mo171  1  0.971197  0.305066  0.590791  1
  Mo  Mo172  1  0.743211  0.077043  0.642640  1
  Mo  Mo173  1  0.076544  0.743710  0.642640  1
  Mo  Mo174  1  0.137863  0.138399  0.590791  1
  Mo  Mo175  1  0.409878  0.410376  0.642640  1
  Mo  Mo176  1  0.471197  0.805066  0.590791  1
  Mo  Mo177  1  0.440374  0.107554  0.616371  1
  Mo  Mo178  1  0.804530  0.471732  0.590791  1
  Mo  Mo179  1  0.773708  0.774220  0.616371  1
  Mo  Mo180  1  0.107041  0.440887  0.616371  1
  Mo  Mo181  1  0.545844  0.046310  0.667790  1
  Mo  Mo182  1  0.879178  0.712977  0.667790  1
  Mo  Mo183  1  0.849429  0.016570  0.694064  1
  Mo  Mo184  1  0.212511  0.379644  0.667790  1
  Mo  Mo185  1  0.182762  0.683237  0.694064  1
  Mo  Mo186  1  0.153373  0.987115  0.715703  1
  Mo  Mo187  1  0.516095  0.349903  0.694064  1
  Mo  Mo188  1  0.486706  0.653781  0.715703  1
  Mo  Mo189  1  0.820039  0.320448  0.715703  1
  Mo  Mo190  1  0.712511  0.879644  0.667790  1
  Mo  Mo191  1  0.045844  0.546310  0.667790  1
  Mo  Mo192  1  0.016095  0.849903  0.694064  1
  Mo  Mo193  1  0.379178  0.212977  0.667790  1
  Mo  Mo194  1  0.349429  0.516570  0.694064  1
  Mo  Mo195  1  0.320039  0.820448  0.715703  1
  Mo  Mo196  1  0.682762  0.183237  0.694064  1
  Mo  Mo197  1  0.653373  0.487115  0.715703  1
  Mo  Mo198  1  0.986706  0.153781  0.715703  1
  Mo  Mo199  1  0.516095  0.849903  0.694064  1
  Mo  Mo200  1  0.849429  0.516570  0.694064  1
  Mo  Mo201  1  0.820039  0.820448  0.715703  1
  Mo  Mo202  1  0.182762  0.183237  0.694064  1
  Mo  Mo203  1  0.153373  0.487115  0.715703  1
  Mo  Mo204  1  0.212511  0.879644  0.667790  1
  Mo  Mo205  1  0.486706  0.153781  0.715703  1
  Mo  Mo206  1  0.545844  0.546310  0.667790  1
  Mo  Mo207  1  0.879178  0.212977  0.667790  1
  Mo  Mo208  1  0.653373  0.987115  0.715703  1
  Mo  Mo209  1  0.986706  0.653781  0.715703  1
  Mo  Mo210  1  0.045844  0.046310  0.667790  1
  Mo  Mo211  1  0.320039  0.320448  0.715703  1
  Mo  Mo212  1  0.379178  0.712977  0.667790  1
  Mo  Mo213  1  0.349429  0.016570  0.694064  1
  Mo  Mo214  1  0.712511  0.379644  0.667790  1
  Mo  Mo215  1  0.682762  0.683237  0.694064  1
  Mo  Mo216  1  0.016095  0.349903  0.694064  1
