# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.35565490
_cell_length_b   11.35318110
_cell_length_c   45.69983326
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo
_chemical_formula_sum   Mo162
_cell_volume   5605.9178609
_cell_formula_units_Z   162
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  0.833177  0.166649  0.288249  1
  Mo  Mo2  1  0.168051  0.833447  0.287418  1
  Mo  Mo3  1  0.083812  0.083812  0.318841  1
  Mo  Mo4  1  0.462094  0.124859  0.303432  1
  Mo  Mo5  1  0.791397  0.795567  0.303431  1
  Mo  Mo6  1  0.125747  0.459208  0.303245  1
  Mo  Mo7  1  0.499970  0.501527  0.287418  1
  Mo  Mo8  1  0.416456  0.749934  0.318996  1
  Mo  Mo9  1  0.750331  0.417289  0.318840  1
  Mo  Mo10  1  0.562989  0.896464  0.327490  1
  Mo  Mo11  1  0.019653  0.688505  0.280047  1
  Mo  Mo12  1  0.940956  0.936123  0.311206  1
  Mo  Mo13  1  0.314234  0.980094  0.295646  1
  Mo  Mo14  1  0.646618  0.647713  0.295646  1
  Mo  Mo15  1  0.979119  0.312595  0.295497  1
  Mo  Mo16  1  0.355036  0.353121  0.280046  1
  Mo  Mo17  1  0.270016  0.603491  0.310667  1
  Mo  Mo18  1  0.602649  0.274420  0.311205  1
  Mo  Mo19  1  0.712528  0.046002  0.334716  1
  Mo  Mo20  1  0.046436  0.713018  0.336234  1
  Mo  Mo21  1  0.966981  0.967802  0.369249  1
  Mo  Mo22  1  0.339659  0.007140  0.352503  1
  Mo  Mo23  1  0.673660  0.673140  0.352503  1
  Mo  Mo24  1  0.006646  0.340130  0.352326  1
  Mo  Mo25  1  0.379544  0.379912  0.336234  1
  Mo  Mo26  1  0.300553  0.634036  0.369351  1
  Mo  Mo27  1  0.634319  0.300464  0.369248  1
  Mo  Mo28  1  0.447680  0.781165  0.377654  1
  Mo  Mo29  1  0.898279  0.566183  0.326160  1
  Mo  Mo30  1  0.819847  0.820592  0.360825  1
  Mo  Mo31  1  0.193866  0.859709  0.344400  1
  Mo  Mo32  1  0.526230  0.527344  0.344400  1
  Mo  Mo33  1  0.859563  0.193044  0.344295  1
  Mo  Mo34  1  0.232707  0.231753  0.326160  1
  Mo  Mo35  1  0.153184  0.486665  0.360889  1
  Mo  Mo36  1  0.487110  0.153329  0.360826  1
  Mo  Mo37  1  0.594982  0.928468  0.385693  1
  Mo  Mo38  1  0.927996  0.594817  0.385671  1
  Mo  Mo39  1  0.849624  0.849835  0.419321  1
  Mo  Mo40  1  0.222114  0.889326  0.402717  1
  Mo  Mo41  1  0.555836  0.555604  0.402716  1
  Mo  Mo42  1  0.889059  0.222550  0.402633  1
  Mo  Mo43  1  0.261331  0.261482  0.385671  1
  Mo  Mo44  1  0.182894  0.516386  0.419358  1
  Mo  Mo45  1  0.516342  0.183117  0.419321  1
  Mo  Mo46  1  0.330100  0.663594  0.427779  1
  Mo  Mo47  1  0.781522  0.448139  0.377291  1
  Mo  Mo48  1  0.702694  0.702810  0.410977  1
  Mo  Mo49  1  0.075080  0.742063  0.394421  1
  Mo  Mo50  1  0.408575  0.408567  0.394421  1
  Mo  Mo51  1  0.741701  0.075188  0.394060  1
  Mo  Mo52  1  0.114654  0.115008  0.377291  1
  Mo  Mo53  1  0.035938  0.369430  0.410949  1
  Mo  Mo54  1  0.369318  0.036185  0.410978  1
  Mo  Mo55  1  0.477254  0.810750  0.436059  1
  Mo  Mo56  1  0.810587  0.477341  0.436003  1
  Mo  Mo57  1  0.732094  0.732228  0.469498  1
  Mo  Mo58  1  0.104536  0.771472  0.452823  1
  Mo  Mo59  1  0.437972  0.438035  0.452823  1
  Mo  Mo60  1  0.771265  0.104764  0.452718  1
  Mo  Mo61  1  0.143844  0.144084  0.436003  1
  Mo  Mo62  1  0.065368  0.398871  0.469510  1
  Mo  Mo63  1  0.398725  0.065597  0.469498  1
  Mo  Mo64  1  0.212404  0.545908  0.477873  1
  Mo  Mo65  1  0.663665  0.330195  0.427668  1
  Mo  Mo66  1  0.585083  0.585144  0.461162  1
  Mo  Mo67  1  0.957479  0.624306  0.444393  1
  Mo  Mo68  1  0.290808  0.290976  0.444393  1
  Mo  Mo69  1  0.624237  0.957735  0.444354  1
  Mo  Mo70  1  0.996701  0.997160  0.427668  1
  Mo  Mo71  1  0.918371  0.251872  0.461150  1
  Mo  Mo72  1  0.251643  0.918584  0.461162  1
  Mo  Mo73  1  0.359526  0.693031  0.486234  1
  Mo  Mo74  1  0.692909  0.359652  0.486204  1
  Mo  Mo75  1  0.614470  0.614548  0.519664  1
  Mo  Mo76  1  0.986945  0.653788  0.502958  1
  Mo  Mo77  1  0.320280  0.320454  0.502958  1
  Mo  Mo78  1  0.653666  0.987174  0.502916  1
  Mo  Mo79  1  0.026147  0.026415  0.486204  1
  Mo  Mo80  1  0.947753  0.281265  0.519696  1
  Mo  Mo81  1  0.281036  0.947982  0.519664  1
  Mo  Mo82  1  0.094794  0.428307  0.528054  1
  Mo  Mo83  1  0.545815  0.212608  0.477839  1
  Mo  Mo84  1  0.467357  0.467483  0.511315  1
  Mo  Mo85  1  0.839941  0.506733  0.494588  1
  Mo  Mo86  1  0.173226  0.173448  0.494588  1
  Mo  Mo87  1  0.506608  0.840115  0.494565  1
  Mo  Mo88  1  0.879104  0.879319  0.477840  1
  Mo  Mo89  1  0.800690  0.134200  0.511293  1
  Mo  Mo90  1  0.133973  0.800867  0.511315  1
  Mo  Mo91  1  0.241829  0.575343  0.536384  1
  Mo  Mo92  1  0.575220  0.242033  0.536376  1
  Mo  Mo93  1  0.496709  0.496803  0.569827  1
  Mo  Mo94  1  0.869424  0.536169  0.553155  1
  Mo  Mo95  1  0.202651  0.202941  0.553155  1
  Mo  Mo96  1  0.536049  0.869566  0.553044  1
  Mo  Mo97  1  0.908518  0.908734  0.536376  1
  Mo  Mo98  1  0.830039  0.163559  0.569881  1
  Mo  Mo99  1  0.163282  0.830230  0.569827  1
  Mo  Mo100  1  0.977143  0.310665  0.578257  1
  Mo  Mo101  1  0.428156  0.095052  0.528021  1
  Mo  Mo102  1  0.349696  0.349870  0.561530  1
  Mo  Mo103  1  0.722299  0.389034  0.544729  1
  Mo  Mo104  1  0.055518  0.055815  0.544729  1
  Mo  Mo105  1  0.388918  0.722433  0.544711  1
  Mo  Mo106  1  0.761540  0.761669  0.528021  1
  Mo  Mo107  1  0.683117  0.016636  0.561486  1
  Mo  Mo108  1  0.016351  0.683215  0.561530  1
  Mo  Mo109  1  0.124245  0.457769  0.586582  1
  Mo  Mo110  1  0.457632  0.124550  0.586551  1
  Mo  Mo111  1  0.378911  0.379086  0.620214  1
  Mo  Mo112  1  0.751821  0.418262  0.603186  1
  Mo  Mo113  1  0.084735  0.085348  0.603186  1
  Mo  Mo114  1  0.418369  0.751897  0.603086  1
  Mo  Mo115  1  0.791027  0.791156  0.586551  1
  Mo  Mo116  1  0.712556  0.046085  0.620216  1
  Mo  Mo117  1  0.045556  0.712441  0.620214  1
  Mo  Mo118  1  0.859151  0.192681  0.628601  1
  Mo  Mo119  1  0.310383  0.977562  0.578141  1
  Mo  Mo120  1  0.232168  0.232537  0.611839  1
  Mo  Mo121  1  0.604610  0.271414  0.594917  1
  Mo  Mo122  1  0.937890  0.938135  0.594917  1
  Mo  Mo123  1  0.271192  0.604717  0.594873  1
  Mo  Mo124  1  0.644039  0.643906  0.578140  1
  Mo  Mo125  1  0.565445  0.898973  0.611457  1
  Mo  Mo126  1  0.899008  0.565698  0.611839  1
  Mo  Mo127  1  0.006743  0.340278  0.636679  1
  Mo  Mo128  1  0.339749  0.007368  0.636558  1
  Mo  Mo129  1  0.261629  0.261694  0.671219  1
  Mo  Mo130  1  0.634178  0.300382  0.653445  1
  Mo  Mo131  1  0.966848  0.967711  0.653446  1
  Mo  Mo132  1  0.300571  0.634108  0.653214  1
  Mo  Mo133  1  0.673834  0.673284  0.636558  1
  Mo  Mo134  1  0.594339  0.927883  0.669599  1
  Mo  Mo135  1  0.928152  0.595173  0.671219  1
  Mo  Mo136  1  0.741525  0.075064  0.679818  1
  Mo  Mo137  1  0.192711  0.859856  0.628247  1
  Mo  Mo138  1  0.114519  0.113876  0.661462  1
  Mo  Mo139  1  0.486907  0.154389  0.645085  1
  Mo  Mo140  1  0.820853  0.820442  0.645086  1
  Mo  Mo141  1  0.153610  0.487143  0.645113  1
  Mo  Mo142  1  0.526325  0.526243  0.628247  1
  Mo  Mo143  1  0.446862  0.780402  0.661328  1
  Mo  Mo144  1  0.780338  0.448056  0.661462  1
  Mo  Mo145  1  0.889858  0.223397  0.687048  1
  Mo  Mo146  1  0.223766  0.890519  0.686886  1
  Mo  Mo147  1  0.140864  0.139731  0.717618  1
  Mo  Mo148  1  0.512365  0.182606  0.702514  1
  Mo  Mo149  1  0.849052  0.845910  0.702515  1
  Mo  Mo150  1  0.180268  0.513806  0.701959  1
  Mo  Mo151  1  0.556979  0.557303  0.686885  1
  Mo  Mo152  1  0.472746  0.806287  0.718439  1
  Mo  Mo153  1  0.806185  0.474412  0.717618  1
  Mo  Mo154  1  0.619850  0.953399  0.725729  1
  Mo  Mo155  1  0.077646  0.743653  0.678558  1
  Mo  Mo156  1  0.994529  0.993894  0.710271  1
  Mo  Mo157  1  0.371527  0.033249  0.694642  1
  Mo  Mo158  1  0.699695  0.705072  0.694641  1
  Mo  Mo159  1  0.034227  0.367781  0.694233  1
  Mo  Mo160  1  0.410116  0.411185  0.678557  1
  Mo  Mo161  1  0.326057  0.659593  0.710101  1
  Mo  Mo162  1  0.660358  0.328070  0.710271  1
