# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.56863002
_cell_length_b   14.78482214
_cell_length_c   47.40573800
_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   Mo192
_cell_volume   7458.53642141
_cell_formula_units_Z   192
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  0.325091  0.316062  0.319853  1
  Mo  Mo2  1  0.825091  0.316062  0.319853  1
  Mo  Mo3  1  0.395487  0.675399  0.301849  1
  Mo  Mo4  1  0.468212  0.029765  0.285184  1
  Mo  Mo5  1  0.895487  0.675399  0.301849  1
  Mo  Mo6  1  0.968212  0.029765  0.285184  1
  Mo  Mo7  1  0.541706  0.132705  0.327312  1
  Mo  Mo8  1  0.041706  0.132705  0.327312  1
  Mo  Mo9  1  0.610384  0.495570  0.310877  1
  Mo  Mo10  1  0.680454  0.855432  0.292648  1
  Mo  Mo11  1  0.110384  0.495570  0.310877  1
  Mo  Mo12  1  0.180454  0.855432  0.292648  1
  Mo  Mo13  1  0.291706  0.132705  0.327312  1
  Mo  Mo14  1  0.791706  0.132705  0.327312  1
  Mo  Mo15  1  0.360384  0.495570  0.310877  1
  Mo  Mo16  1  0.430454  0.855432  0.292648  1
  Mo  Mo17  1  0.860384  0.495570  0.310877  1
  Mo  Mo18  1  0.930454  0.855432  0.292648  1
  Mo  Mo19  1  0.575091  0.316062  0.319853  1
  Mo  Mo20  1  0.075091  0.316062  0.319853  1
  Mo  Mo21  1  0.645487  0.675399  0.301849  1
  Mo  Mo22  1  0.718212  0.029765  0.285184  1
  Mo  Mo23  1  0.145487  0.675399  0.301849  1
  Mo  Mo24  1  0.218212  0.029765  0.285184  1
  Mo  Mo25  1  0.122001  0.221945  0.374148  1
  Mo  Mo26  1  0.622001  0.221945  0.374148  1
  Mo  Mo27  1  0.190423  0.585230  0.356248  1
  Mo  Mo28  1  0.258310  0.949482  0.337886  1
  Mo  Mo29  1  0.690423  0.585230  0.356248  1
  Mo  Mo30  1  0.758310  0.949482  0.337886  1
  Mo  Mo31  1  0.337414  0.041093  0.383798  1
  Mo  Mo32  1  0.837414  0.041093  0.383798  1
  Mo  Mo33  1  0.406125  0.403761  0.365360  1
  Mo  Mo34  1  0.474578  0.766947  0.347066  1
  Mo  Mo35  1  0.906125  0.403761  0.365360  1
  Mo  Mo36  1  0.974578  0.766947  0.347066  1
  Mo  Mo37  1  0.087414  0.041093  0.383798  1
  Mo  Mo38  1  0.587414  0.041093  0.383798  1
  Mo  Mo39  1  0.156125  0.403761  0.365360  1
  Mo  Mo40  1  0.224578  0.766947  0.347066  1
  Mo  Mo41  1  0.656125  0.403761  0.365360  1
  Mo  Mo42  1  0.724578  0.766947  0.347066  1
  Mo  Mo43  1  0.372001  0.221945  0.374148  1
  Mo  Mo44  1  0.872001  0.221945  0.374148  1
  Mo  Mo45  1  0.440423  0.585230  0.356248  1
  Mo  Mo46  1  0.508310  0.949482  0.337886  1
  Mo  Mo47  1  0.940423  0.585230  0.356248  1
  Mo  Mo48  1  0.008310  0.949482  0.337886  1
  Mo  Mo49  1  0.917212  0.131306  0.430328  1
  Mo  Mo50  1  0.417212  0.131306  0.430328  1
  Mo  Mo51  1  0.985626  0.494563  0.411942  1
  Mo  Mo52  1  0.053574  0.858748  0.393444  1
  Mo  Mo53  1  0.485626  0.494563  0.411942  1
  Mo  Mo54  1  0.553574  0.858748  0.393444  1
  Mo  Mo55  1  0.133004  0.949695  0.439766  1
  Mo  Mo56  1  0.633004  0.949695  0.439766  1
  Mo  Mo57  1  0.201598  0.312570  0.420979  1
  Mo  Mo58  1  0.269651  0.676564  0.402731  1
  Mo  Mo59  1  0.701598  0.312570  0.420979  1
  Mo  Mo60  1  0.769651  0.676564  0.402731  1
  Mo  Mo61  1  0.883004  0.949695  0.439766  1
  Mo  Mo62  1  0.383004  0.949695  0.439766  1
  Mo  Mo63  1  0.951598  0.312570  0.420979  1
  Mo  Mo64  1  0.019651  0.676564  0.402731  1
  Mo  Mo65  1  0.451598  0.312570  0.420979  1
  Mo  Mo66  1  0.519651  0.676564  0.402731  1
  Mo  Mo67  1  0.167212  0.131306  0.430328  1
  Mo  Mo68  1  0.667212  0.131306  0.430328  1
  Mo  Mo69  1  0.235626  0.494563  0.411942  1
  Mo  Mo70  1  0.303574  0.858748  0.393444  1
  Mo  Mo71  1  0.735626  0.494563  0.411942  1
  Mo  Mo72  1  0.803574  0.858748  0.393444  1
  Mo  Mo73  1  0.712560  0.040393  0.486249  1
  Mo  Mo74  1  0.212560  0.040393  0.486249  1
  Mo  Mo75  1  0.781004  0.403564  0.467601  1
  Mo  Mo76  1  0.849022  0.767622  0.449131  1
  Mo  Mo77  1  0.281004  0.403564  0.467601  1
  Mo  Mo78  1  0.349022  0.767622  0.449131  1
  Mo  Mo79  1  0.928508  0.858452  0.495540  1
  Mo  Mo80  1  0.428508  0.858452  0.495540  1
  Mo  Mo81  1  0.996772  0.221997  0.476908  1
  Mo  Mo82  1  0.065033  0.585555  0.458407  1
  Mo  Mo83  1  0.496772  0.221997  0.476908  1
  Mo  Mo84  1  0.565033  0.585555  0.458407  1
  Mo  Mo85  1  0.678508  0.858452  0.495540  1
  Mo  Mo86  1  0.178508  0.858452  0.495540  1
  Mo  Mo87  1  0.746772  0.221997  0.476908  1
  Mo  Mo88  1  0.815033  0.585555  0.458407  1
  Mo  Mo89  1  0.246772  0.221997  0.476908  1
  Mo  Mo90  1  0.315033  0.585555  0.458407  1
  Mo  Mo91  1  0.962560  0.040393  0.486249  1
  Mo  Mo92  1  0.462560  0.040393  0.486249  1
  Mo  Mo93  1  0.031004  0.403564  0.467601  1
  Mo  Mo94  1  0.099022  0.767622  0.449131  1
  Mo  Mo95  1  0.531004  0.403564  0.467601  1
  Mo  Mo96  1  0.599022  0.767622  0.449131  1
  Mo  Mo97  1  0.507985  0.949303  0.541984  1
  Mo  Mo98  1  0.007985  0.949303  0.541984  1
  Mo  Mo99  1  0.576246  0.312860  0.523482  1
  Mo  Mo100  1  0.644510  0.676406  0.504850  1
  Mo  Mo101  1  0.076246  0.312860  0.523482  1
  Mo  Mo102  1  0.144510  0.676406  0.504850  1
  Mo  Mo103  1  0.723997  0.767236  0.551259  1
  Mo  Mo104  1  0.223997  0.767236  0.551259  1
  Mo  Mo105  1  0.792015  0.131293  0.532790  1
  Mo  Mo106  1  0.860458  0.494464  0.514141  1
  Mo  Mo107  1  0.292015  0.131293  0.532790  1
  Mo  Mo108  1  0.360458  0.494464  0.514141  1
  Mo  Mo109  1  0.473997  0.767236  0.551259  1
  Mo  Mo110  1  0.973997  0.767236  0.551259  1
  Mo  Mo111  1  0.542015  0.131293  0.532790  1
  Mo  Mo112  1  0.610458  0.494464  0.514141  1
  Mo  Mo113  1  0.042015  0.131293  0.532790  1
  Mo  Mo114  1  0.110458  0.494464  0.514141  1
  Mo  Mo115  1  0.757985  0.949303  0.541984  1
  Mo  Mo116  1  0.257985  0.949303  0.541984  1
  Mo  Mo117  1  0.826246  0.312860  0.523482  1
  Mo  Mo118  1  0.894510  0.676406  0.504850  1
  Mo  Mo119  1  0.326246  0.312860  0.523482  1
  Mo  Mo120  1  0.394510  0.676406  0.504850  1
  Mo  Mo121  1  0.303368  0.858293  0.597659  1
  Mo  Mo122  1  0.803368  0.858293  0.597659  1
  Mo  Mo123  1  0.371421  0.222288  0.579412  1
  Mo  Mo124  1  0.440014  0.585163  0.560624  1
  Mo  Mo125  1  0.871421  0.222288  0.579412  1
  Mo  Mo126  1  0.940014  0.585163  0.560624  1
  Mo  Mo127  1  0.519444  0.676109  0.606946  1
  Mo  Mo128  1  0.019444  0.676109  0.606946  1
  Mo  Mo129  1  0.587392  0.040294  0.588448  1
  Mo  Mo130  1  0.655806  0.403552  0.570063  1
  Mo  Mo131  1  0.087392  0.040294  0.588448  1
  Mo  Mo132  1  0.155806  0.403552  0.570063  1
  Mo  Mo133  1  0.269444  0.676109  0.606946  1
  Mo  Mo134  1  0.769444  0.676109  0.606946  1
  Mo  Mo135  1  0.337392  0.040294  0.588448  1
  Mo  Mo136  1  0.405806  0.403552  0.570063  1
  Mo  Mo137  1  0.837392  0.040294  0.588448  1
  Mo  Mo138  1  0.905806  0.403552  0.570063  1
  Mo  Mo139  1  0.553368  0.858293  0.597659  1
  Mo  Mo140  1  0.053368  0.858293  0.597659  1
  Mo  Mo141  1  0.621421  0.222288  0.579412  1
  Mo  Mo142  1  0.690014  0.585163  0.560624  1
  Mo  Mo143  1  0.121421  0.222288  0.579412  1
  Mo  Mo144  1  0.190014  0.585163  0.560624  1
  Mo  Mo145  1  0.098440  0.767911  0.653324  1
  Mo  Mo146  1  0.598440  0.767911  0.653324  1
  Mo  Mo147  1  0.166893  0.131096  0.635030  1
  Mo  Mo148  1  0.235605  0.493765  0.616592  1
  Mo  Mo149  1  0.666893  0.131096  0.635030  1
  Mo  Mo150  1  0.735605  0.493765  0.616592  1
  Mo  Mo151  1  0.314708  0.585376  0.662505  1
  Mo  Mo152  1  0.814708  0.585376  0.662505  1
  Mo  Mo153  1  0.382595  0.949627  0.644143  1
  Mo  Mo154  1  0.451017  0.312913  0.626242  1
  Mo  Mo155  1  0.882595  0.949627  0.644143  1
  Mo  Mo156  1  0.951017  0.312913  0.626242  1
  Mo  Mo157  1  0.064708  0.585376  0.662505  1
  Mo  Mo158  1  0.564708  0.585376  0.662505  1
  Mo  Mo159  1  0.132595  0.949627  0.644143  1
  Mo  Mo160  1  0.201017  0.312913  0.626242  1
  Mo  Mo161  1  0.632595  0.949627  0.644143  1
  Mo  Mo162  1  0.701017  0.312913  0.626242  1
  Mo  Mo163  1  0.348440  0.767911  0.653324  1
  Mo  Mo164  1  0.848440  0.767911  0.653324  1
  Mo  Mo165  1  0.416893  0.131096  0.635030  1
  Mo  Mo166  1  0.485605  0.493765  0.616592  1
  Mo  Mo167  1  0.916893  0.131096  0.635030  1
  Mo  Mo168  1  0.985605  0.493765  0.616592  1
  Mo  Mo169  1  0.892565  0.679426  0.707742  1
  Mo  Mo170  1  0.392565  0.679426  0.707742  1
  Mo  Mo171  1  0.962634  0.039287  0.689513  1
  Mo  Mo172  1  0.031312  0.402153  0.673078  1
  Mo  Mo173  1  0.462634  0.039287  0.689513  1
  Mo  Mo174  1  0.531312  0.402153  0.673078  1
  Mo  Mo175  1  0.104806  0.505092  0.715206  1
  Mo  Mo176  1  0.604806  0.505092  0.715206  1
  Mo  Mo177  1  0.177531  0.859458  0.698541  1
  Mo  Mo178  1  0.247927  0.218796  0.680538  1
  Mo  Mo179  1  0.677531  0.859458  0.698541  1
  Mo  Mo180  1  0.747927  0.218796  0.680538  1
  Mo  Mo181  1  0.854806  0.505092  0.715206  1
  Mo  Mo182  1  0.354806  0.505092  0.715206  1
  Mo  Mo183  1  0.927531  0.859458  0.698541  1
  Mo  Mo184  1  0.997927  0.218796  0.680538  1
  Mo  Mo185  1  0.427531  0.859458  0.698541  1
  Mo  Mo186  1  0.497927  0.218796  0.680538  1
  Mo  Mo187  1  0.142565  0.679426  0.707742  1
  Mo  Mo188  1  0.642565  0.679426  0.707742  1
  Mo  Mo189  1  0.212634  0.039287  0.689513  1
  Mo  Mo190  1  0.281312  0.402153  0.673078  1
  Mo  Mo191  1  0.712634  0.039287  0.689513  1
  Mo  Mo192  1  0.781312  0.402153  0.673078  1
