# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.85999694
_cell_length_b   16.75706816
_cell_length_c   45.77659642
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.28637930
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg198
_cell_volume   10127.6879736
_cell_formula_units_Z   198
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  0.160087  0.710948  0.300733  1
  Mg  Mg2  1  0.493420  0.377614  0.300733  1
  Mg  Mg3  1  0.553411  0.722427  0.287311  1
  Mg  Mg4  1  0.768432  0.700738  0.312533  1
  Mg  Mg5  1  0.101766  0.367405  0.312533  1
  Mg  Mg6  1  0.435099  0.034071  0.312533  1
  Mg  Mg7  1  0.826753  0.044281  0.300733  1
  Mg  Mg8  1  0.886744  0.389094  0.287311  1
  Mg  Mg9  1  0.220078  0.055760  0.287311  1
  Mg  Mg10  1  0.175195  0.527447  0.321490  1
  Mg  Mg11  1  0.508528  0.194113  0.321490  1
  Mg  Mg12  1  0.568707  0.538131  0.308160  1
  Mg  Mg13  1  0.958909  0.547436  0.295828  1
  Mg  Mg14  1  0.292243  0.214103  0.295828  1
  Mg  Mg15  1  0.625576  0.880770  0.295828  1
  Mg  Mg16  1  0.841861  0.860780  0.321490  1
  Mg  Mg17  1  0.902040  0.204798  0.308160  1
  Mg  Mg18  1  0.235374  0.871465  0.308160  1
  Mg  Mg19  1  0.986572  0.681617  0.338866  1
  Mg  Mg20  1  0.319906  0.348284  0.338866  1
  Mg  Mg21  1  0.378123  0.691029  0.325147  1
  Mg  Mg22  1  0.594507  0.673415  0.351893  1
  Mg  Mg23  1  0.927840  0.340082  0.351893  1
  Mg  Mg24  1  0.261174  0.006749  0.351893  1
  Mg  Mg25  1  0.653239  0.014950  0.338866  1
  Mg  Mg26  1  0.711456  0.357696  0.325147  1
  Mg  Mg27  1  0.044789  0.024363  0.325147  1
  Mg  Mg28  1  0.001127  0.499589  0.360443  1
  Mg  Mg29  1  0.334460  0.166256  0.360443  1
  Mg  Mg30  1  0.392824  0.510059  0.347264  1
  Mg  Mg31  1  0.783919  0.519215  0.334029  1
  Mg  Mg32  1  0.117252  0.185882  0.334029  1
  Mg  Mg33  1  0.450586  0.852549  0.334029  1
  Mg  Mg34  1  0.667793  0.832922  0.360443  1
  Mg  Mg35  1  0.726157  0.176726  0.347264  1
  Mg  Mg36  1  0.059490  0.843393  0.347264  1
  Mg  Mg37  1  0.812317  0.654244  0.378127  1
  Mg  Mg38  1  0.145650  0.320911  0.378127  1
  Mg  Mg39  1  0.203349  0.663746  0.365271  1
  Mg  Mg40  1  0.420920  0.644999  0.391392  1
  Mg  Mg41  1  0.754253  0.311666  0.391392  1
  Mg  Mg42  1  0.087587  0.978333  0.391392  1
  Mg  Mg43  1  0.478984  0.987578  0.378127  1
  Mg  Mg44  1  0.536682  0.330412  0.365271  1
  Mg  Mg45  1  0.870016  0.997079  0.365271  1
  Mg  Mg46  1  0.826625  0.472243  0.400340  1
  Mg  Mg47  1  0.159958  0.138910  0.400340  1
  Mg  Mg48  1  0.218437  0.481404  0.387030  1
  Mg  Mg49  1  0.609706  0.490331  0.373395  1
  Mg  Mg50  1  0.943040  0.156997  0.373395  1
  Mg  Mg51  1  0.276373  0.823664  0.373395  1
  Mg  Mg52  1  0.493292  0.805576  0.400340  1
  Mg  Mg53  1  0.551770  0.148071  0.387030  1
  Mg  Mg54  1  0.885104  0.814737  0.387030  1
  Mg  Mg55  1  0.638251  0.625950  0.418372  1
  Mg  Mg56  1  0.971585  0.292617  0.418372  1
  Mg  Mg57  1  0.029674  0.635364  0.404914  1
  Mg  Mg58  1  0.247065  0.616680  0.431917  1
  Mg  Mg59  1  0.580399  0.283346  0.431917  1
  Mg  Mg60  1  0.913732  0.950013  0.431917  1
  Mg  Mg61  1  0.304918  0.959284  0.418372  1
  Mg  Mg62  1  0.363007  0.302030  0.404914  1
  Mg  Mg63  1  0.696341  0.968697  0.404914  1
  Mg  Mg64  1  0.653006  0.443762  0.440625  1
  Mg  Mg65  1  0.986340  0.110428  0.440625  1
  Mg  Mg66  1  0.044474  0.453074  0.427282  1
  Mg  Mg67  1  0.435495  0.462833  0.413743  1
  Mg  Mg68  1  0.768828  0.129499  0.413743  1
  Mg  Mg69  1  0.102162  0.796166  0.413743  1
  Mg  Mg70  1  0.319673  0.777095  0.440625  1
  Mg  Mg71  1  0.377807  0.119741  0.427282  1
  Mg  Mg72  1  0.711140  0.786407  0.427282  1
  Mg  Mg73  1  0.464494  0.597930  0.458636  1
  Mg  Mg74  1  0.797827  0.264596  0.458636  1
  Mg  Mg75  1  0.855856  0.607278  0.445225  1
  Mg  Mg76  1  0.073317  0.588523  0.472154  1
  Mg  Mg77  1  0.406650  0.255190  0.472154  1
  Mg  Mg78  1  0.739984  0.921857  0.472154  1
  Mg  Mg79  1  0.131161  0.931263  0.458636  1
  Mg  Mg80  1  0.189189  0.273944  0.445225  1
  Mg  Mg81  1  0.522522  0.940611  0.445225  1
  Mg  Mg82  1  0.479184  0.415750  0.481055  1
  Mg  Mg83  1  0.812517  0.082417  0.481055  1
  Mg  Mg84  1  0.870479  0.425068  0.467558  1
  Mg  Mg85  1  0.261940  0.434353  0.454156  1
  Mg  Mg86  1  0.595274  0.101019  0.454156  1
  Mg  Mg87  1  0.928607  0.767686  0.454156  1
  Mg  Mg88  1  0.145850  0.749083  0.481055  1
  Mg  Mg89  1  0.203812  0.091734  0.467558  1
  Mg  Mg90  1  0.537145  0.758401  0.467558  1
  Mg  Mg91  1  0.290692  0.569883  0.499088  1
  Mg  Mg92  1  0.624025  0.236549  0.499088  1
  Mg  Mg93  1  0.681952  0.579233  0.485567  1
  Mg  Mg94  1  0.899346  0.560579  0.512450  1
  Mg  Mg95  1  0.232679  0.227245  0.512450  1
  Mg  Mg96  1  0.566013  0.893912  0.512450  1
  Mg  Mg97  1  0.957358  0.903216  0.499088  1
  Mg  Mg98  1  0.015285  0.245900  0.485567  1
  Mg  Mg99  1  0.348619  0.912567  0.485567  1
  Mg  Mg100  1  0.305331  0.387712  0.521389  1
  Mg  Mg101  1  0.638664  0.054379  0.521389  1
  Mg  Mg102  1  0.696591  0.397063  0.507868  1
  Mg  Mg103  1  0.087937  0.406367  0.494506  1
  Mg  Mg104  1  0.421270  0.073034  0.494506  1
  Mg  Mg105  1  0.754604  0.739700  0.494506  1
  Mg  Mg106  1  0.971998  0.721046  0.521389  1
  Mg  Mg107  1  0.029925  0.063730  0.507868  1
  Mg  Mg108  1  0.363258  0.730397  0.507868  1
  Mg  Mg109  1  0.116804  0.541878  0.539398  1
  Mg  Mg110  1  0.450137  0.208545  0.539398  1
  Mg  Mg111  1  0.508099  0.551196  0.525901  1
  Mg  Mg112  1  0.725343  0.532593  0.552800  1
  Mg  Mg113  1  0.058676  0.199260  0.552800  1
  Mg  Mg114  1  0.392009  0.865927  0.552800  1
  Mg  Mg115  1  0.783471  0.875212  0.539398  1
  Mg  Mg116  1  0.841432  0.217862  0.525901  1
  Mg  Mg117  1  0.174766  0.884529  0.525901  1
  Mg  Mg118  1  0.131427  0.359668  0.561731  1
  Mg  Mg119  1  0.464761  0.026335  0.561731  1
  Mg  Mg120  1  0.522789  0.369016  0.548321  1
  Mg  Mg121  1  0.913966  0.378423  0.534803  1
  Mg  Mg122  1  0.247299  0.045089  0.534803  1
  Mg  Mg123  1  0.580633  0.711756  0.534803  1
  Mg  Mg124  1  0.798094  0.693002  0.561731  1
  Mg  Mg125  1  0.856122  0.035683  0.548321  1
  Mg  Mg126  1  0.189456  0.702349  0.548321  1
  Mg  Mg127  1  0.942809  0.513872  0.579674  1
  Mg  Mg128  1  0.276143  0.180538  0.579674  1
  Mg  Mg129  1  0.334277  0.523184  0.566331  1
  Mg  Mg130  1  0.551788  0.504113  0.593213  1
  Mg  Mg131  1  0.885121  0.170780  0.593213  1
  Mg  Mg132  1  0.218454  0.837447  0.593213  1
  Mg  Mg133  1  0.609476  0.847205  0.579674  1
  Mg  Mg134  1  0.667610  0.189851  0.566331  1
  Mg  Mg135  1  0.000943  0.856517  0.566331  1
  Mg  Mg136  1  0.957609  0.331582  0.602042  1
  Mg  Mg137  1  0.290942  0.998249  0.602042  1
  Mg  Mg138  1  0.349032  0.340996  0.588585  1
  Mg  Mg139  1  0.740218  0.350266  0.575039  1
  Mg  Mg140  1  0.073551  0.016933  0.575039  1
  Mg  Mg141  1  0.406884  0.683599  0.575039  1
  Mg  Mg142  1  0.624276  0.664916  0.602042  1
  Mg  Mg143  1  0.682365  0.007662  0.588585  1
  Mg  Mg144  1  0.015698  0.674329  0.588585  1
  Mg  Mg145  1  0.768846  0.485542  0.619926  1
  Mg  Mg146  1  0.102179  0.152208  0.619926  1
  Mg  Mg147  1  0.160658  0.494703  0.606616  1
  Mg  Mg148  1  0.377577  0.476615  0.633561  1
  Mg  Mg149  1  0.710910  0.143282  0.633561  1
  Mg  Mg150  1  0.044243  0.809948  0.633561  1
  Mg  Mg151  1  0.435512  0.818875  0.619926  1
  Mg  Mg152  1  0.493991  0.161370  0.606616  1
  Mg  Mg153  1  0.827325  0.828036  0.606616  1
  Mg  Mg154  1  0.783934  0.303200  0.641685  1
  Mg  Mg155  1  0.117267  0.969867  0.641685  1
  Mg  Mg156  1  0.174966  0.312701  0.628829  1
  Mg  Mg157  1  0.566363  0.321947  0.615565  1
  Mg  Mg158  1  0.899696  0.988613  0.615565  1
  Mg  Mg159  1  0.233029  0.655280  0.615565  1
  Mg  Mg160  1  0.450601  0.636533  0.641685  1
  Mg  Mg161  1  0.508299  0.979368  0.628829  1
  Mg  Mg162  1  0.841632  0.646035  0.628829  1
  Mg  Mg163  1  0.594459  0.456887  0.659692  1
  Mg  Mg164  1  0.927793  0.123553  0.659692  1
  Mg  Mg165  1  0.986156  0.467357  0.646513  1
  Mg  Mg166  1  0.203364  0.447731  0.672927  1
  Mg  Mg167  1  0.536697  0.114397  0.672927  1
  Mg  Mg168  1  0.870031  0.781064  0.672927  1
  Mg  Mg169  1  0.261126  0.790220  0.659692  1
  Mg  Mg170  1  0.319490  0.134024  0.646513  1
  Mg  Mg171  1  0.652823  0.800690  0.646513  1
  Mg  Mg172  1  0.609160  0.275917  0.681809  1
  Mg  Mg173  1  0.942494  0.942583  0.681809  1
  Mg  Mg174  1  0.000711  0.285329  0.668090  1
  Mg  Mg175  1  0.392776  0.293531  0.655063  1
  Mg  Mg176  1  0.726109  0.960197  0.655063  1
  Mg  Mg177  1  0.059443  0.626864  0.655063  1
  Mg  Mg178  1  0.275827  0.609250  0.681809  1
  Mg  Mg179  1  0.334044  0.951996  0.668090  1
  Mg  Mg180  1  0.667377  0.618662  0.668090  1
  Mg  Mg181  1  0.418576  0.428815  0.698796  1
  Mg  Mg182  1  0.751909  0.095481  0.698796  1
  Mg  Mg183  1  0.812088  0.439499  0.685466  1
  Mg  Mg184  1  0.028374  0.419509  0.711128  1
  Mg  Mg185  1  0.361707  0.086176  0.711128  1
  Mg  Mg186  1  0.695040  0.752843  0.711128  1
  Mg  Mg187  1  0.085243  0.762148  0.698796  1
  Mg  Mg188  1  0.145422  0.106166  0.685466  1
  Mg  Mg189  1  0.478755  0.772833  0.685466  1
  Mg  Mg190  1  0.433872  0.244519  0.719646  1
  Mg  Mg191  1  0.767205  0.911186  0.719646  1
  Mg  Mg192  1  0.827196  0.255998  0.706223  1
  Mg  Mg193  1  0.218851  0.266208  0.694423  1
  Mg  Mg194  1  0.552184  0.932875  0.694423  1
  Mg  Mg195  1  0.885517  0.599541  0.694423  1
  Mg  Mg196  1  0.100539  0.577852  0.719646  1
  Mg  Mg197  1  0.160530  0.922665  0.706223  1
  Mg  Mg198  1  0.493863  0.589331  0.706223  1
