# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.42620249
_cell_length_b   15.85176965
_cell_length_c   45.56124728
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.98141136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg162
_cell_volume   8171.62115239
_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
  Mg  Mg1  1  0.402676  0.801142  0.279815  1
  Mg  Mg2  1  0.736009  0.467809  0.279815  1
  Mg  Mg3  1  0.676338  0.791045  0.293038  1
  Mg  Mg4  1  0.069343  0.134475  0.279815  1
  Mg  Mg5  1  0.009671  0.457712  0.293038  1
  Mg  Mg6  1  0.947692  0.784098  0.309334  1
  Mg  Mg7  1  0.343005  0.124378  0.293038  1
  Mg  Mg8  1  0.281026  0.450765  0.309334  1
  Mg  Mg9  1  0.614359  0.117432  0.309334  1
  Mg  Mg10  1  0.412830  0.616319  0.305790  1
  Mg  Mg11  1  0.746164  0.282986  0.305790  1
  Mg  Mg12  1  0.678183  0.615069  0.323632  1
  Mg  Mg13  1  0.079497  0.949652  0.305790  1
  Mg  Mg14  1  0.011516  0.281735  0.323632  1
  Mg  Mg15  1  0.137005  0.628954  0.290217  1
  Mg  Mg16  1  0.344849  0.948402  0.323632  1
  Mg  Mg17  1  0.470338  0.295621  0.290217  1
  Mg  Mg18  1  0.803671  0.962288  0.290217  1
  Mg  Mg19  1  0.218991  0.776027  0.327445  1
  Mg  Mg20  1  0.552325  0.442694  0.327445  1
  Mg  Mg21  1  0.488703  0.769931  0.344165  1
  Mg  Mg22  1  0.885658  0.109361  0.327445  1
  Mg  Mg23  1  0.822036  0.436597  0.344165  1
  Mg  Mg24  1  0.759365  0.765391  0.359815  1
  Mg  Mg25  1  0.155369  0.103264  0.344165  1
  Mg  Mg26  1  0.092698  0.432057  0.359815  1
  Mg  Mg27  1  0.426032  0.098724  0.359815  1
  Mg  Mg28  1  0.218217  0.597637  0.355850  1
  Mg  Mg29  1  0.551551  0.264303  0.355850  1
  Mg  Mg30  1  0.487716  0.590590  0.372706  1
  Mg  Mg31  1  0.884884  0.930970  0.355850  1
  Mg  Mg32  1  0.821049  0.257257  0.372706  1
  Mg  Mg33  1  0.945970  0.605114  0.338926  1
  Mg  Mg34  1  0.154383  0.923924  0.372706  1
  Mg  Mg35  1  0.279304  0.271781  0.338926  1
  Mg  Mg36  1  0.612637  0.938447  0.338926  1
  Mg  Mg37  1  0.030201  0.755566  0.375936  1
  Mg  Mg38  1  0.363534  0.422233  0.375936  1
  Mg  Mg39  1  0.301629  0.748867  0.393014  1
  Mg  Mg40  1  0.696867  0.088900  0.375936  1
  Mg  Mg41  1  0.634962  0.415534  0.393014  1
  Mg  Mg42  1  0.572563  0.742070  0.409837  1
  Mg  Mg43  1  0.968296  0.082201  0.393014  1
  Mg  Mg44  1  0.905896  0.408737  0.409837  1
  Mg  Mg45  1  0.239230  0.075403  0.409837  1
  Mg  Mg46  1  0.028438  0.577272  0.406246  1
  Mg  Mg47  1  0.361771  0.243938  0.406246  1
  Mg  Mg48  1  0.299214  0.569394  0.422940  1
  Mg  Mg49  1  0.695105  0.910605  0.406246  1
  Mg  Mg50  1  0.632548  0.236061  0.422940  1
  Mg  Mg51  1  0.758118  0.584365  0.389588  1
  Mg  Mg52  1  0.965881  0.902728  0.422940  1
  Mg  Mg53  1  0.091451  0.251032  0.389588  1
  Mg  Mg54  1  0.424784  0.917699  0.389588  1
  Mg  Mg55  1  0.842988  0.735139  0.426289  1
  Mg  Mg56  1  0.176322  0.401806  0.426289  1
  Mg  Mg57  1  0.113742  0.727769  0.442941  1
  Mg  Mg58  1  0.509655  0.068472  0.426289  1
  Mg  Mg59  1  0.447075  0.394436  0.442941  1
  Mg  Mg60  1  0.384454  0.720489  0.459782  1
  Mg  Mg61  1  0.780409  0.061103  0.442941  1
  Mg  Mg62  1  0.717787  0.387156  0.459782  1
  Mg  Mg63  1  0.051121  0.053822  0.459782  1
  Mg  Mg64  1  0.840193  0.555391  0.456593  1
  Mg  Mg65  1  0.173526  0.222058  0.456593  1
  Mg  Mg66  1  0.110780  0.548253  0.473295  1
  Mg  Mg67  1  0.506859  0.888725  0.456593  1
  Mg  Mg68  1  0.444114  0.214920  0.473295  1
  Mg  Mg69  1  0.569696  0.562374  0.439783  1
  Mg  Mg70  1  0.777447  0.881587  0.473295  1
  Mg  Mg71  1  0.903029  0.229041  0.439783  1
  Mg  Mg72  1  0.236363  0.895707  0.439783  1
  Mg  Mg73  1  0.655157  0.713448  0.476539  1
  Mg  Mg74  1  0.988491  0.380115  0.476539  1
  Mg  Mg75  1  0.925737  0.706418  0.493208  1
  Mg  Mg76  1  0.321824  0.046782  0.476539  1
  Mg  Mg77  1  0.259071  0.373085  0.493208  1
  Mg  Mg78  1  0.196277  0.699205  0.509966  1
  Mg  Mg79  1  0.592404  0.039751  0.493208  1
  Mg  Mg80  1  0.529610  0.365872  0.509966  1
  Mg  Mg81  1  0.862944  0.032539  0.509966  1
  Mg  Mg82  1  0.651956  0.533769  0.506830  1
  Mg  Mg83  1  0.985290  0.200435  0.506830  1
  Mg  Mg84  1  0.922537  0.526738  0.523500  1
  Mg  Mg85  1  0.318623  0.867102  0.506830  1
  Mg  Mg86  1  0.255870  0.193405  0.523500  1
  Mg  Mg87  1  0.381417  0.540981  0.490073  1
  Mg  Mg88  1  0.589203  0.860072  0.523500  1
  Mg  Mg89  1  0.714750  0.207648  0.490073  1
  Mg  Mg90  1  0.048083  0.874315  0.490073  1
  Mg  Mg91  1  0.466913  0.691933  0.526744  1
  Mg  Mg92  1  0.800247  0.358600  0.526744  1
  Mg  Mg93  1  0.737501  0.684795  0.543445  1
  Mg  Mg94  1  0.133580  0.025266  0.526744  1
  Mg  Mg95  1  0.070834  0.351462  0.543445  1
  Mg  Mg96  1  0.007998  0.677813  0.560256  1
  Mg  Mg97  1  0.404168  0.018129  0.543445  1
  Mg  Mg98  1  0.341331  0.344479  0.560256  1
  Mg  Mg99  1  0.674664  0.011146  0.560256  1
  Mg  Mg100  1  0.463952  0.512417  0.557097  1
  Mg  Mg101  1  0.797285  0.179084  0.557097  1
  Mg  Mg102  1  0.734705  0.505047  0.573749  1
  Mg  Mg103  1  0.130619  0.845751  0.557097  1
  Mg  Mg104  1  0.068039  0.171714  0.573749  1
  Mg  Mg105  1  0.193240  0.519698  0.540257  1
  Mg  Mg106  1  0.401372  0.838381  0.573749  1
  Mg  Mg107  1  0.526573  0.186364  0.540257  1
  Mg  Mg108  1  0.859906  0.853031  0.540257  1
  Mg  Mg109  1  0.278479  0.670792  0.577099  1
  Mg  Mg110  1  0.611813  0.337459  0.577099  1
  Mg  Mg111  1  0.549256  0.662915  0.593793  1
  Mg  Mg112  1  0.945146  0.004126  0.577099  1
  Mg  Mg113  1  0.882589  0.329581  0.593793  1
  Mg  Mg114  1  0.819576  0.655821  0.610451  1
  Mg  Mg115  1  0.215922  0.996248  0.593793  1
  Mg  Mg116  1  0.152909  0.322488  0.610451  1
  Mg  Mg117  1  0.486243  0.989155  0.610451  1
  Mg  Mg118  1  0.276065  0.491319  0.607025  1
  Mg  Mg119  1  0.609398  0.157986  0.607025  1
  Mg  Mg120  1  0.547493  0.484620  0.624103  1
  Mg  Mg121  1  0.942731  0.824652  0.607025  1
  Mg  Mg122  1  0.880827  0.151287  0.624103  1
  Mg  Mg123  1  0.005131  0.498117  0.590201  1
  Mg  Mg124  1  0.214160  0.817954  0.624103  1
  Mg  Mg125  1  0.338464  0.164783  0.590201  1
  Mg  Mg126  1  0.671797  0.831450  0.590201  1
  Mg  Mg127  1  0.089978  0.649596  0.627332  1
  Mg  Mg128  1  0.423311  0.316263  0.627332  1
  Mg  Mg129  1  0.359476  0.642550  0.644189  1
  Mg  Mg130  1  0.756645  0.982930  0.627332  1
  Mg  Mg131  1  0.692810  0.309217  0.644189  1
  Mg  Mg132  1  0.631723  0.635072  0.661112  1
  Mg  Mg133  1  0.026143  0.975883  0.644189  1
  Mg  Mg134  1  0.965057  0.301739  0.661112  1
  Mg  Mg135  1  0.298390  0.968406  0.661112  1
  Mg  Mg136  1  0.088991  0.470256  0.655873  1
  Mg  Mg137  1  0.422324  0.136923  0.655873  1
  Mg  Mg138  1  0.358702  0.464159  0.672594  1
  Mg  Mg139  1  0.755658  0.803589  0.655873  1
  Mg  Mg140  1  0.692036  0.130826  0.672594  1
  Mg  Mg141  1  0.818329  0.474796  0.640223  1
  Mg  Mg142  1  0.025369  0.797493  0.672594  1
  Mg  Mg143  1  0.151662  0.141463  0.640223  1
  Mg  Mg144  1  0.484995  0.808129  0.640223  1
  Mg  Mg145  1  0.899511  0.625118  0.676407  1
  Mg  Mg146  1  0.232844  0.291784  0.676407  1
  Mg  Mg147  1  0.164863  0.623868  0.694249  1
  Mg  Mg148  1  0.566178  0.958451  0.676407  1
  Mg  Mg149  1  0.498197  0.290534  0.694249  1
  Mg  Mg150  1  0.440689  0.611232  0.709822  1
  Mg  Mg151  1  0.831530  0.957201  0.694249  1
  Mg  Mg152  1  0.774022  0.277899  0.709822  1
  Mg  Mg153  1  0.107356  0.944566  0.709822  1
  Mg  Mg154  1  0.901356  0.449142  0.707001  1
  Mg  Mg155  1  0.234689  0.115808  0.707001  1
  Mg  Mg156  1  0.175018  0.439045  0.720223  1
  Mg  Mg157  1  0.568022  0.782475  0.707001  1
  Mg  Mg158  1  0.508351  0.105711  0.720223  1
  Mg  Mg159  1  0.630001  0.456088  0.690704  1
  Mg  Mg160  1  0.841685  0.772378  0.720223  1
  Mg  Mg161  1  0.963335  0.122755  0.690704  1
  Mg  Mg162  1  0.296668  0.789421  0.690704  1
