# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.53886391
_cell_length_b   14.07078848
_cell_length_c   45.88419322
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.92958815
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg168
_cell_volume   8646.33616825
_cell_formula_units_Z   168
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
  Mg  Mg1  1  0.767735  0.316758  0.306353  1
  Mg  Mg2  1  0.434401  0.316758  0.306353  1
  Mg  Mg3  1  0.367288  0.840961  0.291189  1
  Mg  Mg4  1  0.101068  0.316758  0.306353  1
  Mg  Mg5  1  0.033955  0.840961  0.291189  1
  Mg  Mg6  1  0.700621  0.840961  0.291189  1
  Mg  Mg7  1  0.582141  0.049136  0.313221  1
  Mg  Mg8  1  0.248808  0.049136  0.313221  1
  Mg  Mg9  1  0.180878  0.580386  0.298584  1
  Mg  Mg10  1  0.915475  0.049136  0.313221  1
  Mg  Mg11  1  0.847545  0.580386  0.298584  1
  Mg  Mg12  1  0.514212  0.580386  0.298584  1
  Mg  Mg13  1  0.571675  0.255970  0.335367  1
  Mg  Mg14  1  0.238342  0.255970  0.335367  1
  Mg  Mg15  1  0.171353  0.784994  0.320510  1
  Mg  Mg16  1  0.905009  0.255970  0.335367  1
  Mg  Mg17  1  0.838019  0.784994  0.320510  1
  Mg  Mg18  1  0.504686  0.784994  0.320510  1
  Mg  Mg19  1  0.385920  0.991638  0.343248  1
  Mg  Mg20  1  0.052587  0.991638  0.343248  1
  Mg  Mg21  1  0.984183  0.521690  0.327814  1
  Mg  Mg22  1  0.719254  0.991638  0.343248  1
  Mg  Mg23  1  0.650850  0.521690  0.327814  1
  Mg  Mg24  1  0.317516  0.521690  0.327814  1
  Mg  Mg25  1  0.376032  0.197757  0.366925  1
  Mg  Mg26  1  0.042699  0.197757  0.366925  1
  Mg  Mg27  1  0.975075  0.726367  0.351660  1
  Mg  Mg28  1  0.709366  0.197757  0.366925  1
  Mg  Mg29  1  0.641742  0.726367  0.351660  1
  Mg  Mg30  1  0.308409  0.726367  0.351660  1
  Mg  Mg31  1  0.189363  0.933070  0.374248  1
  Mg  Mg32  1  0.856030  0.933070  0.374248  1
  Mg  Mg33  1  0.787195  0.462253  0.359270  1
  Mg  Mg34  1  0.522696  0.933070  0.374248  1
  Mg  Mg35  1  0.453862  0.462253  0.359270  1
  Mg  Mg36  1  0.120529  0.462253  0.359270  1
  Mg  Mg37  1  0.180890  0.139778  0.397643  1
  Mg  Mg38  1  0.847557  0.139778  0.397643  1
  Mg  Mg39  1  0.779338  0.668466  0.382107  1
  Mg  Mg40  1  0.514223  0.139778  0.397643  1
  Mg  Mg41  1  0.446005  0.668466  0.382107  1
  Mg  Mg42  1  0.112671  0.668466  0.382107  1
  Mg  Mg43  1  0.993571  0.875335  0.405605  1
  Mg  Mg44  1  0.660238  0.875335  0.405605  1
  Mg  Mg45  1  0.591131  0.403921  0.389652  1
  Mg  Mg46  1  0.326904  0.875335  0.405605  1
  Mg  Mg47  1  0.257797  0.403921  0.389652  1
  Mg  Mg48  1  0.924464  0.403921  0.389652  1
  Mg  Mg49  1  0.984759  0.080723  0.429408  1
  Mg  Mg50  1  0.651426  0.080723  0.429408  1
  Mg  Mg51  1  0.583216  0.609826  0.413886  1
  Mg  Mg52  1  0.318093  0.080723  0.429408  1
  Mg  Mg53  1  0.249883  0.609826  0.413886  1
  Mg  Mg54  1  0.916550  0.609826  0.413886  1
  Mg  Mg55  1  0.797409  0.816335  0.437166  1
  Mg  Mg56  1  0.464076  0.816335  0.437166  1
  Mg  Mg57  1  0.395054  0.345359  0.421646  1
  Mg  Mg58  1  0.130743  0.816335  0.437166  1
  Mg  Mg59  1  0.061721  0.345359  0.421646  1
  Mg  Mg60  1  0.728387  0.345359  0.421646  1
  Mg  Mg61  1  0.789238  0.022722  0.460774  1
  Mg  Mg62  1  0.455904  0.022722  0.460774  1
  Mg  Mg63  1  0.387140  0.551531  0.445082  1
  Mg  Mg64  1  0.122571  0.022722  0.460774  1
  Mg  Mg65  1  0.053807  0.551531  0.445082  1
  Mg  Mg66  1  0.720474  0.551531  0.445082  1
  Mg  Mg67  1  0.601533  0.758152  0.468681  1
  Mg  Mg68  1  0.268200  0.758152  0.468681  1
  Mg  Mg69  1  0.199339  0.287199  0.452874  1
  Mg  Mg70  1  0.934866  0.758152  0.468681  1
  Mg  Mg71  1  0.866005  0.287199  0.452874  1
  Mg  Mg72  1  0.532672  0.287199  0.452874  1
  Mg  Mg73  1  0.593337  0.964154  0.492476  1
  Mg  Mg74  1  0.260004  0.964154  0.492476  1
  Mg  Mg75  1  0.191278  0.493167  0.476779  1
  Mg  Mg76  1  0.926671  0.964154  0.492476  1
  Mg  Mg77  1  0.857945  0.493167  0.476779  1
  Mg  Mg78  1  0.524612  0.493167  0.476779  1
  Mg  Mg79  1  0.405659  0.699729  0.500277  1
  Mg  Mg80  1  0.072326  0.699729  0.500277  1
  Mg  Mg81  1  0.003415  0.228643  0.484620  1
  Mg  Mg82  1  0.738993  0.699729  0.500277  1
  Mg  Mg83  1  0.670082  0.228643  0.484620  1
  Mg  Mg84  1  0.336748  0.228643  0.484620  1
  Mg  Mg85  1  0.397725  0.906151  0.523875  1
  Mg  Mg86  1  0.064392  0.906151  0.523875  1
  Mg  Mg87  1  0.995481  0.435066  0.508218  1
  Mg  Mg88  1  0.731058  0.906151  0.523875  1
  Mg  Mg89  1  0.662147  0.435066  0.508218  1
  Mg  Mg90  1  0.328814  0.435066  0.508218  1
  Mg  Mg91  1  0.209862  0.641628  0.531716  1
  Mg  Mg92  1  0.876528  0.641628  0.531716  1
  Mg  Mg93  1  0.807803  0.170640  0.516019  1
  Mg  Mg94  1  0.543195  0.641628  0.531716  1
  Mg  Mg95  1  0.474469  0.170640  0.516019  1
  Mg  Mg96  1  0.141136  0.170640  0.516019  1
  Mg  Mg97  1  0.201801  0.847596  0.555621  1
  Mg  Mg98  1  0.868468  0.847596  0.555621  1
  Mg  Mg99  1  0.799607  0.376643  0.539814  1
  Mg  Mg100  1  0.535135  0.847596  0.555621  1
  Mg  Mg101  1  0.466274  0.376643  0.539814  1
  Mg  Mg102  1  0.132940  0.376643  0.539814  1
  Mg  Mg103  1  0.014000  0.583264  0.563413  1
  Mg  Mg104  1  0.680667  0.583264  0.563413  1
  Mg  Mg105  1  0.611902  0.112073  0.547721  1
  Mg  Mg106  1  0.347333  0.583264  0.563413  1
  Mg  Mg107  1  0.278569  0.112073  0.547721  1
  Mg  Mg108  1  0.945236  0.112073  0.547721  1
  Mg  Mg109  1  0.006086  0.789436  0.586848  1
  Mg  Mg110  1  0.672753  0.789436  0.586848  1
  Mg  Mg111  1  0.603731  0.318460  0.571329  1
  Mg  Mg112  1  0.339420  0.789436  0.586848  1
  Mg  Mg113  1  0.270397  0.318460  0.571329  1
  Mg  Mg114  1  0.937064  0.318460  0.571329  1
  Mg  Mg115  1  0.817924  0.524969  0.594609  1
  Mg  Mg116  1  0.484591  0.524969  0.594609  1
  Mg  Mg117  1  0.416381  0.054072  0.579087  1
  Mg  Mg118  1  0.151257  0.524969  0.594609  1
  Mg  Mg119  1  0.083048  0.054072  0.579087  1
  Mg  Mg120  1  0.749714  0.054072  0.579087  1
  Mg  Mg121  1  0.810010  0.730874  0.618843  1
  Mg  Mg122  1  0.476676  0.730874  0.618843  1
  Mg  Mg123  1  0.407569  0.259460  0.602890  1
  Mg  Mg124  1  0.143343  0.730874  0.618843  1
  Mg  Mg125  1  0.074236  0.259460  0.602890  1
  Mg  Mg126  1  0.740903  0.259460  0.602890  1
  Mg  Mg127  1  0.621802  0.466329  0.626388  1
  Mg  Mg128  1  0.288469  0.466329  0.626388  1
  Mg  Mg129  1  0.220250  0.995016  0.610851  1
  Mg  Mg130  1  0.955135  0.466329  0.626388  1
  Mg  Mg131  1  0.886917  0.995016  0.610851  1
  Mg  Mg132  1  0.553584  0.995016  0.610851  1
  Mg  Mg133  1  0.613945  0.672542  0.649225  1
  Mg  Mg134  1  0.280611  0.672542  0.649225  1
  Mg  Mg135  1  0.211777  0.201725  0.634246  1
  Mg  Mg136  1  0.947278  0.672542  0.649225  1
  Mg  Mg137  1  0.878444  0.201725  0.634246  1
  Mg  Mg138  1  0.545111  0.201725  0.634246  1
  Mg  Mg139  1  0.426065  0.408428  0.656834  1
  Mg  Mg140  1  0.092732  0.408428  0.656834  1
  Mg  Mg141  1  0.025108  0.937037  0.641569  1
  Mg  Mg142  1  0.759398  0.408428  0.656834  1
  Mg  Mg143  1  0.691775  0.937037  0.641569  1
  Mg  Mg144  1  0.358441  0.937037  0.641569  1
  Mg  Mg145  1  0.416957  0.613105  0.680681  1
  Mg  Mg146  1  0.083624  0.613105  0.680681  1
  Mg  Mg147  1  0.015220  0.143156  0.665247  1
  Mg  Mg148  1  0.750291  0.613105  0.680681  1
  Mg  Mg149  1  0.681886  0.143156  0.665247  1
  Mg  Mg150  1  0.348553  0.143156  0.665247  1
  Mg  Mg151  1  0.229787  0.349801  0.687985  1
  Mg  Mg152  1  0.896454  0.349801  0.687985  1
  Mg  Mg153  1  0.829465  0.878825  0.673128  1
  Mg  Mg154  1  0.563121  0.349801  0.687985  1
  Mg  Mg155  1  0.496131  0.878825  0.673128  1
  Mg  Mg156  1  0.162798  0.878825  0.673128  1
  Mg  Mg157  1  0.220262  0.554408  0.709910  1
  Mg  Mg158  1  0.886929  0.554408  0.709910  1
  Mg  Mg159  1  0.818999  0.085659  0.695274  1
  Mg  Mg160  1  0.553595  0.554408  0.709910  1
  Mg  Mg161  1  0.485666  0.085659  0.695274  1
  Mg  Mg162  1  0.152332  0.085659  0.695274  1
  Mg  Mg163  1  0.033852  0.293834  0.717306  1
  Mg  Mg164  1  0.700519  0.293834  0.717306  1
  Mg  Mg165  1  0.633405  0.818036  0.702142  1
  Mg  Mg166  1  0.367185  0.293834  0.717306  1
  Mg  Mg167  1  0.300072  0.818036  0.702142  1
  Mg  Mg168  1  0.966739  0.818036  0.702142  1
