# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92212283
_cell_length_b   11.33970507
_cell_length_c   46.16854883
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo
_chemical_formula_sum   Mo120
_cell_volume   4296.75753979
_cell_formula_units_Z   120
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  0.267331  0.172505  0.316911  1
  Mo  Mo2  1  0.764823  0.177546  0.317520  1
  Mo  Mo3  1  0.331684  0.542906  0.303046  1
  Mo  Mo4  1  0.399951  0.907137  0.290266  1
  Mo  Mo5  1  0.832613  0.542921  0.303047  1
  Mo  Mo6  1  0.694097  0.810405  0.330848  1
  Mo  Mo7  1  0.081863  0.040441  0.303506  1
  Mo  Mo8  1  0.584773  0.040519  0.303504  1
  Mo  Mo9  1  0.150029  0.407001  0.290003  1
  Mo  Mo10  1  0.016232  0.674835  0.317003  1
  Mo  Mo11  1  0.649873  0.407330  0.290009  1
  Mo  Mo12  1  0.517157  0.672939  0.317194  1
  Mo  Mo13  1  0.061071  0.083993  0.360131  1
  Mo  Mo14  1  0.562057  0.084005  0.360133  1
  Mo  Mo15  1  0.129802  0.447536  0.345768  1
  Mo  Mo16  1  0.202734  0.810359  0.330859  1
  Mo  Mo17  1  0.629624  0.447893  0.345953  1
  Mo  Mo18  1  0.493478  0.720197  0.374927  1
  Mo  Mo19  1  0.880584  0.945970  0.344276  1
  Mo  Mo20  1  0.379699  0.947758  0.346023  1
  Mo  Mo21  1  0.948300  0.311703  0.329852  1
  Mo  Mo22  1  0.812143  0.583694  0.360296  1
  Mo  Mo23  1  0.447137  0.311712  0.329855  1
  Mo  Mo24  1  0.311328  0.583683  0.360299  1
  Mo  Mo25  1  0.857056  0.992980  0.403411  1
  Mo  Mo26  1  0.356885  0.993309  0.403804  1
  Mo  Mo27  1  0.925418  0.356293  0.388989  1
  Mo  Mo28  1  0.993027  0.721071  0.374396  1
  Mo  Mo29  1  0.425392  0.356293  0.388991  1
  Mo  Mo30  1  0.288565  0.629461  0.418289  1
  Mo  Mo31  1  0.675944  0.856765  0.389014  1
  Mo  Mo32  1  0.174401  0.856767  0.389016  1
  Mo  Mo33  1  0.743471  0.220179  0.374480  1
  Mo  Mo34  1  0.607124  0.492851  0.403868  1
  Mo  Mo35  1  0.243152  0.220805  0.374448  1
  Mo  Mo36  1  0.106963  0.493161  0.403798  1
  Mo  Mo37  1  0.652528  0.902282  0.447277  1
  Mo  Mo38  1  0.152229  0.902284  0.447278  1
  Mo  Mo39  1  0.720703  0.265654  0.432724  1
  Mo  Mo40  1  0.789053  0.629457  0.418288  1
  Mo  Mo41  1  0.220580  0.265894  0.432741  1
  Mo  Mo42  1  0.084209  0.538603  0.461917  1
  Mo  Mo43  1  0.470521  0.766017  0.432813  1
  Mo  Mo44  1  0.970559  0.765940  0.432737  1
  Mo  Mo45  1  0.538814  0.129493  0.418212  1
  Mo  Mo46  1  0.402438  0.402127  0.447324  1
  Mo  Mo47  1  0.038762  0.129494  0.418212  1
  Mo  Mo48  1  0.902476  0.402126  0.447324  1
  Mo  Mo49  1  0.447768  0.811454  0.490963  1
  Mo  Mo50  1  0.947787  0.811415  0.490934  1
  Mo  Mo51  1  0.516022  0.174999  0.476404  1
  Mo  Mo52  1  0.584209  0.538603  0.461913  1
  Mo  Mo53  1  0.015984  0.175000  0.476404  1
  Mo  Mo54  1  0.879593  0.447744  0.505534  1
  Mo  Mo55  1  0.265984  0.675018  0.476423  1
  Mo  Mo56  1  0.766004  0.675018  0.476423  1
  Mo  Mo57  1  0.334157  0.038703  0.461892  1
  Mo  Mo58  1  0.197802  0.311384  0.490969  1
  Mo  Mo59  1  0.834215  0.038595  0.461801  1
  Mo  Mo60  1  0.697819  0.311350  0.490957  1
  Mo  Mo61  1  0.243223  0.720528  0.534584  1
  Mo  Mo62  1  0.743186  0.720529  0.534585  1
  Mo  Mo63  1  0.311366  0.084222  0.520069  1
  Mo  Mo64  1  0.379633  0.447744  0.505534  1
  Mo  Mo65  1  0.811385  0.084184  0.520042  1
  Mo  Mo66  1  0.674983  0.356951  0.549193  1
  Mo  Mo67  1  0.061419  0.584115  0.520068  1
  Mo  Mo68  1  0.561403  0.584145  0.520079  1
  Mo  Mo69  1  0.129579  0.947808  0.505491  1
  Mo  Mo70  1  0.993195  0.220555  0.534597  1
  Mo  Mo71  1  0.629584  0.947808  0.505491  1
  Mo  Mo72  1  0.493188  0.220555  0.534597  1
  Mo  Mo73  1  0.038703  0.629478  0.578218  1
  Mo  Mo74  1  0.538590  0.629699  0.578239  1
  Mo  Mo75  1  0.106897  0.993390  0.563698  1
  Mo  Mo76  1  0.174982  0.356952  0.549190  1
  Mo  Mo77  1  0.606616  0.993392  0.563699  1
  Mo  Mo78  1  0.470193  0.266039  0.592756  1
  Mo  Mo79  1  0.856846  0.493244  0.563753  1
  Mo  Mo80  1  0.356809  0.493244  0.563753  1
  Mo  Mo81  1  0.924994  0.856934  0.549080  1
  Mo  Mo82  1  0.788553  0.129777  0.578235  1
  Mo  Mo83  1  0.424942  0.857031  0.549166  1
  Mo  Mo84  1  0.288522  0.129845  0.578295  1
  Mo  Mo85  1  0.834216  0.538478  0.621990  1
  Mo  Mo86  1  0.334134  0.538478  0.621992  1
  Mo  Mo87  1  0.902142  0.902574  0.607105  1
  Mo  Mo88  1  0.970641  0.266037  0.592755  1
  Mo  Mo89  1  0.401992  0.902862  0.607477  1
  Mo  Mo90  1  0.266035  0.174765  0.636667  1
  Mo  Mo91  1  0.652031  0.402786  0.607500  1
  Mo  Mo92  1  0.152189  0.402477  0.607571  1
  Mo  Mo93  1  0.720377  0.766053  0.592696  1
  Mo  Mo94  1  0.583164  0.038977  0.621995  1
  Mo  Mo95  1  0.220437  0.766051  0.592696  1
  Mo  Mo96  1  0.084697  0.038975  0.621992  1
  Mo  Mo97  1  0.629423  0.447950  0.666461  1
  Mo  Mo98  1  0.129256  0.448283  0.666719  1
  Mo  Mo99  1  0.696741  0.812142  0.650664  1
  Mo  Mo100  1  0.765543  0.175723  0.636195  1
  Mo  Mo101  1  0.197904  0.812153  0.650665  1
  Mo  Mo102  1  0.056609  0.085082  0.680230  1
  Mo  Mo103  1  0.447037  0.311842  0.650781  1
  Mo  Mo104  1  0.947939  0.311848  0.650777  1
  Mo  Mo105  1  0.515761  0.675271  0.636235  1
  Mo  Mo106  1  0.379414  0.947984  0.666633  1
  Mo  Mo107  1  0.016045  0.674718  0.636243  1
  Mo  Mo108  1  0.880013  0.946762  0.664916  1
  Mo  Mo109  1  0.425197  0.354163  0.706579  1
  Mo  Mo110  1  0.927542  0.354176  0.706579  1
  Mo  Mo111  1  0.495524  0.715644  0.693395  1
  Mo  Mo112  1  0.565089  0.085041  0.680241  1
  Mo  Mo113  1  0.992478  0.721762  0.694011  1
  Mo  Mo114  1  0.860318  0.986255  0.720690  1
  Mo  Mo115  1  0.245214  0.216340  0.693615  1
  Mo  Mo116  1  0.743632  0.219540  0.693683  1
  Mo  Mo117  1  0.309462  0.586333  0.679378  1
  Mo  Mo118  1  0.178521  0.853473  0.707283  1
  Mo  Mo119  1  0.810906  0.586322  0.679375  1
  Mo  Mo120  1  0.674838  0.853397  0.707286  1
