# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.42661738
_cell_length_b   10.84140354
_cell_length_c   47.15740104
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.25444847
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg108
_cell_volume   5719.56411881
_cell_formula_units_Z   108
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  0.891832  0.714606  0.289731  1
  Mg  Mg2  1  0.169132  0.705177  0.303395  1
  Mg  Mg3  1  0.441436  0.686062  0.319108  1
  Mg  Mg4  1  0.914754  0.441278  0.312670  1
  Mg  Mg5  1  0.188522  0.428959  0.326840  1
  Mg  Mg6  1  0.640744  0.462157  0.297032  1
  Mg  Mg7  1  0.801863  0.193641  0.310991  1
  Mg  Mg8  1  0.080665  0.175688  0.326179  1
  Mg  Mg9  1  0.523688  0.216654  0.296719  1
  Mg  Mg10  1  0.967042  0.930075  0.326059  1
  Mg  Mg11  1  0.418220  0.962881  0.296224  1
  Mg  Mg12  1  0.691800  0.945583  0.310125  1
  Mg  Mg13  1  0.710231  0.673118  0.335585  1
  Mg  Mg14  1  0.984857  0.656250  0.351243  1
  Mg  Mg15  1  0.255230  0.641898  0.366996  1
  Mg  Mg16  1  0.728430  0.398146  0.359489  1
  Mg  Mg17  1  1.001764  0.381701  0.374951  1
  Mg  Mg18  1  0.456507  0.416399  0.344472  1
  Mg  Mg19  1  0.619958  0.149382  0.358529  1
  Mg  Mg20  1  0.892950  0.134059  0.373990  1
  Mg  Mg21  1  0.348220  0.164405  0.344103  1
  Mg  Mg22  1  0.784517  0.885092  0.373160  1
  Mg  Mg23  1  0.238986  0.913057  0.342927  1
  Mg  Mg24  1  0.511512  0.900882  0.358342  1
  Mg  Mg25  1  0.528167  0.626576  0.382631  1
  Mg  Mg26  1  0.801466  0.609831  0.398159  1
  Mg  Mg27  1  0.073172  0.594268  0.414389  1
  Mg  Mg28  1  0.544556  0.351417  0.407306  1
  Mg  Mg29  1  0.817025  0.335926  0.422991  1
  Mg  Mg30  1  0.271886  0.367628  0.391302  1
  Mg  Mg31  1  0.437221  0.102773  0.406590  1
  Mg  Mg32  1  0.709809  0.087114  0.422004  1
  Mg  Mg33  1  0.164326  0.117850  0.390418  1
  Mg  Mg34  1  0.602814  0.837970  0.421235  1
  Mg  Mg35  1  0.056091  0.869122  0.389442  1
  Mg  Mg36  1  0.329670  0.853516  0.405551  1
  Mg  Mg37  1  0.345474  0.579056  0.430284  1
  Mg  Mg38  1  0.618000  0.563428  0.446051  1
  Mg  Mg39  1  0.889967  0.547836  0.462035  1
  Mg  Mg40  1  0.360591  0.304969  0.455106  1
  Mg  Mg41  1  0.633166  0.289117  0.470975  1
  Mg  Mg42  1  0.088578  0.320303  0.439113  1
  Mg  Mg43  1  0.253681  0.055952  0.454114  1
  Mg  Mg44  1  0.526310  0.040286  0.470013  1
  Mg  Mg45  1  0.981396  0.071478  0.438053  1
  Mg  Mg46  1  0.419443  0.791272  0.468983  1
  Mg  Mg47  1  0.874405  0.822237  0.436993  1
  Mg  Mg48  1  0.146759  0.806834  0.453026  1
  Mg  Mg49  1  0.162250  0.532375  0.478053  1
  Mg  Mg50  1  0.434557  0.516833  0.493915  1
  Mg  Mg51  1  0.706539  0.501258  0.509800  1
  Mg  Mg52  1  0.177336  0.258173  0.502951  1
  Mg  Mg53  1  0.449577  0.242649  0.518788  1
  Mg  Mg54  1  0.905188  0.273611  0.486973  1
  Mg  Mg55  1  0.070605  0.009140  0.501888  1
  Mg  Mg56  1  0.342803  0.993617  0.517819  1
  Mg  Mg57  1  0.798440  0.024553  0.485865  1
  Mg  Mg58  1  0.236073  0.744579  0.516779  1
  Mg  Mg59  1  0.691634  0.775555  0.484864  1
  Mg  Mg60  1  0.963856  0.760067  0.500783  1
  Mg  Mg61  1  0.978992  0.485746  0.525801  1
  Mg  Mg62  1  0.251324  0.470252  0.541800  1
  Mg  Mg63  1  0.522979  0.454731  0.557704  1
  Mg  Mg64  1  0.994466  0.211492  0.550775  1
  Mg  Mg65  1  0.266842  0.196002  0.566629  1
  Mg  Mg66  1  0.721816  0.226896  0.534703  1
  Mg  Mg67  1  0.887571  0.962276  0.549627  1
  Mg  Mg68  1  0.159937  0.946765  0.565699  1
  Mg  Mg69  1  0.614867  0.977908  0.533630  1
  Mg  Mg70  1  0.052866  0.697795  0.564643  1
  Mg  Mg71  1  0.507982  0.728917  0.532683  1
  Mg  Mg72  1  0.780487  0.713323  0.548536  1
  Mg  Mg73  1  0.795329  0.439184  0.573426  1
  Mg  Mg74  1  0.068412  0.423861  0.589560  1
  Mg  Mg75  1  0.339765  0.407899  0.605756  1
  Mg  Mg76  1  0.811504  0.164802  0.598210  1
  Mg  Mg77  1  0.085528  0.149221  0.614302  1
  Mg  Mg78  1  0.538563  0.180282  0.582370  1
  Mg  Mg79  1  0.703784  0.915698  0.597049  1
  Mg  Mg80  1  0.977392  0.900268  0.613273  1
  Mg  Mg81  1  0.431450  0.930713  0.581596  1
  Mg  Mg82  1  0.869500  0.651044  0.612143  1
  Mg  Mg83  1  0.323945  0.682256  0.580798  1
  Mg  Mg84  1  0.596347  0.666815  0.596340  1
  Mg  Mg85  1  0.612063  0.391483  0.621239  1
  Mg  Mg86  1  0.885628  0.376872  0.636424  1
  Mg  Mg87  1  0.156829  0.361257  0.653117  1
  Mg  Mg88  1  0.629209  0.117996  0.645350  1
  Mg  Mg89  1  0.902941  0.104885  0.660576  1
  Mg  Mg90  1  0.357359  0.132256  0.630013  1
  Mg  Mg91  1  0.521011  0.868953  0.645135  1
  Mg  Mg92  1  0.792806  0.855242  0.659311  1
  Mg  Mg93  1  0.248263  0.884333  0.629880  1
  Mg  Mg94  1  0.685002  0.602830  0.658714  1
  Mg  Mg95  1  0.139544  0.636242  0.629033  1
  Mg  Mg96  1  0.412409  0.619408  0.644132  1
  Mg  Mg97  1  0.428379  0.344207  0.669211  1
  Mg  Mg98  1  0.699891  0.332277  0.684150  1
  Mg  Mg99  1  0.970246  0.315122  0.699378  1
  Mg  Mg100  1  0.448809  0.071813  0.693570  1
  Mg  Mg101  1  0.724598  0.056034  0.707227  1
  Mg  Mg102  1  0.175086  0.089184  0.677989  1
  Mg  Mg103  1  0.339634  0.821408  0.692572  1
  Mg  Mg104  1  0.618797  0.803331  0.706770  1
  Mg  Mg105  1  0.061453  0.842340  0.677728  1
  Mg  Mg106  1  0.506006  0.559026  0.705859  1
  Mg  Mg107  1  0.949962  0.592776  0.676392  1
  Mg  Mg108  1  0.226807  0.572510  0.691741  1
