# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.82953684
_cell_length_b   16.78883350
_cell_length_c   46.24617679
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.23654627
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg198
_cell_volume   10225.6001713
_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  0.158088  0.709110  0.296854  1
  Mg  Mg2  1  0.491421  0.375777  0.296854  1
  Mg  Mg3  1  0.552010  0.722633  0.284729  1
  Mg  Mg4  1  0.771037  0.697796  0.308761  1
  Mg  Mg5  1  0.104371  0.364462  0.308761  1
  Mg  Mg6  1  0.437704  0.031129  0.308761  1
  Mg  Mg7  1  0.824754  0.042444  0.296854  1
  Mg  Mg8  1  0.885343  0.389300  0.284729  1
  Mg  Mg9  1  0.218676  0.055966  0.284729  1
  Mg  Mg10  1  0.185534  0.522719  0.316991  1
  Mg  Mg11  1  0.518867  0.189386  0.316991  1
  Mg  Mg12  1  0.575370  0.534809  0.303622  1
  Mg  Mg13  1  0.962991  0.548311  0.291867  1
  Mg  Mg14  1  0.296325  0.214978  0.291867  1
  Mg  Mg15  1  0.629658  0.881644  0.291867  1
  Mg  Mg16  1  0.852200  0.856053  0.316991  1
  Mg  Mg17  1  0.908704  0.201475  0.303622  1
  Mg  Mg18  1  0.242037  0.868142  0.303622  1
  Mg  Mg19  1  0.989185  0.678433  0.336579  1
  Mg  Mg20  1  0.322518  0.345099  0.336579  1
  Mg  Mg21  1  0.378778  0.686709  0.321886  1
  Mg  Mg22  1  0.595513  0.672052  0.349321  1
  Mg  Mg23  1  0.928846  0.338719  0.349321  1
  Mg  Mg24  1  0.262179  0.005386  0.349321  1
  Mg  Mg25  1  0.655851  0.011766  0.336579  1
  Mg  Mg26  1  0.712111  0.353376  0.321886  1
  Mg  Mg27  1  0.045445  0.020042  0.321886  1
  Mg  Mg28  1  0.006364  0.497365  0.357160  1
  Mg  Mg29  1  0.339697  0.164032  0.357160  1
  Mg  Mg30  1  0.398193  0.508533  0.344381  1
  Mg  Mg31  1  0.787369  0.518813  0.331492  1
  Mg  Mg32  1  0.120702  0.185480  0.331492  1
  Mg  Mg33  1  0.454035  0.852147  0.331492  1
  Mg  Mg34  1  0.673030  0.830698  0.357160  1
  Mg  Mg35  1  0.731527  0.175200  0.344381  1
  Mg  Mg36  1  0.064860  0.841867  0.344381  1
  Mg  Mg37  1  0.814758  0.652376  0.375342  1
  Mg  Mg38  1  0.148091  0.319042  0.375342  1
  Mg  Mg39  1  0.205147  0.661783  0.362492  1
  Mg  Mg40  1  0.423866  0.642981  0.388577  1
  Mg  Mg41  1  0.757200  0.309648  0.388577  1
  Mg  Mg42  1  0.090533  0.976315  0.388577  1
  Mg  Mg43  1  0.481425  0.985709  0.375342  1
  Mg  Mg44  1  0.538481  0.328450  0.362492  1
  Mg  Mg45  1  0.871814  0.995116  0.362492  1
  Mg  Mg46  1  0.831281  0.470357  0.397457  1
  Mg  Mg47  1  0.164614  0.137024  0.397457  1
  Mg  Mg48  1  0.223007  0.479596  0.383833  1
  Mg  Mg49  1  0.614599  0.488280  0.370161  1
  Mg  Mg50  1  0.947932  0.154947  0.370161  1
  Mg  Mg51  1  0.281266  0.821613  0.370161  1
  Mg  Mg52  1  0.497947  0.803690  0.397457  1
  Mg  Mg53  1  0.556340  0.146262  0.383833  1
  Mg  Mg54  1  0.889674  0.812929  0.383833  1
  Mg  Mg55  1  0.641453  0.623740  0.415443  1
  Mg  Mg56  1  0.974786  0.290407  0.415443  1
  Mg  Mg57  1  0.032805  0.632950  0.402250  1
  Mg  Mg58  1  0.250482  0.614497  0.428879  1
  Mg  Mg59  1  0.583815  0.281163  0.428879  1
  Mg  Mg60  1  0.917148  0.947830  0.428879  1
  Mg  Mg61  1  0.308119  0.957074  0.415443  1
  Mg  Mg62  1  0.366139  0.299617  0.402250  1
  Mg  Mg63  1  0.699472  0.966283  0.402250  1
  Mg  Mg64  1  0.657213  0.441688  0.437414  1
  Mg  Mg65  1  0.990546  0.108355  0.437414  1
  Mg  Mg66  1  0.048683  0.451046  0.424124  1
  Mg  Mg67  1  0.439945  0.460637  0.410810  1
  Mg  Mg68  1  0.773278  0.127304  0.410810  1
  Mg  Mg69  1  0.106612  0.793971  0.410810  1
  Mg  Mg70  1  0.323880  0.775021  0.437414  1
  Mg  Mg71  1  0.382016  0.117712  0.424124  1
  Mg  Mg72  1  0.715350  0.784379  0.424124  1
  Mg  Mg73  1  0.467964  0.595670  0.455525  1
  Mg  Mg74  1  0.801297  0.262336  0.455525  1
  Mg  Mg75  1  0.859163  0.605128  0.442196  1
  Mg  Mg76  1  0.076830  0.586139  0.469019  1
  Mg  Mg77  1  0.410163  0.252805  0.469019  1
  Mg  Mg78  1  0.743496  0.919472  0.469019  1
  Mg  Mg79  1  0.134631  0.929003  0.455525  1
  Mg  Mg80  1  0.192496  0.271795  0.442196  1
  Mg  Mg81  1  0.525829  0.938462  0.442196  1
  Mg  Mg82  1  0.483390  0.413341  0.477754  1
  Mg  Mg83  1  0.816723  0.080007  0.477754  1
  Mg  Mg84  1  0.874676  0.422761  0.464320  1
  Mg  Mg85  1  0.265989  0.432244  0.450895  1
  Mg  Mg86  1  0.599322  0.098911  0.450895  1
  Mg  Mg87  1  0.932656  0.765577  0.450895  1
  Mg  Mg88  1  0.150057  0.746674  0.477754  1
  Mg  Mg89  1  0.208010  0.089427  0.464320  1
  Mg  Mg90  1  0.541343  0.756094  0.464320  1
  Mg  Mg91  1  0.294318  0.567296  0.495786  1
  Mg  Mg92  1  0.627651  0.233963  0.495786  1
  Mg  Mg93  1  0.685528  0.576699  0.482347  1
  Mg  Mg94  1  0.902983  0.557894  0.509120  1
  Mg  Mg95  1  0.236317  0.224560  0.509120  1
  Mg  Mg96  1  0.569650  0.891227  0.509120  1
  Mg  Mg97  1  0.960984  0.900630  0.495786  1
  Mg  Mg98  1  0.018862  0.243365  0.482347  1
  Mg  Mg99  1  0.352195  0.910032  0.482347  1
  Mg  Mg100  1  0.309565  0.385102  0.517895  1
  Mg  Mg101  1  0.642899  0.051768  0.517895  1
  Mg  Mg102  1  0.700776  0.394504  0.504456  1
  Mg  Mg103  1  0.092110  0.403907  0.491122  1
  Mg  Mg104  1  0.425443  0.070574  0.491122  1
  Mg  Mg105  1  0.758777  0.737240  0.491122  1
  Mg  Mg106  1  0.976232  0.718435  0.517895  1
  Mg  Mg107  1  0.034109  0.061171  0.504456  1
  Mg  Mg108  1  0.367442  0.727838  0.504456  1
  Mg  Mg109  1  0.120417  0.539040  0.535922  1
  Mg  Mg110  1  0.453750  0.205706  0.535922  1
  Mg  Mg111  1  0.511703  0.548460  0.522488  1
  Mg  Mg112  1  0.729105  0.529557  0.549347  1
  Mg  Mg113  1  0.062438  0.196223  0.549347  1
  Mg  Mg114  1  0.395771  0.862890  0.549347  1
  Mg  Mg115  1  0.787084  0.872373  0.535922  1
  Mg  Mg116  1  0.845037  0.215126  0.522488  1
  Mg  Mg117  1  0.178370  0.881793  0.522488  1
  Mg  Mg118  1  0.135931  0.356672  0.558046  1
  Mg  Mg119  1  0.469264  0.023339  0.558046  1
  Mg  Mg120  1  0.527129  0.366131  0.544717  1
  Mg  Mg121  1  0.918264  0.375662  0.531222  1
  Mg  Mg122  1  0.251597  0.042329  0.531222  1
  Mg  Mg123  1  0.584930  0.708995  0.531222  1
  Mg  Mg124  1  0.802597  0.690005  0.558046  1
  Mg  Mg125  1  0.860463  0.032797  0.544717  1
  Mg  Mg126  1  0.193796  0.699464  0.544717  1
  Mg  Mg127  1  0.946411  0.510755  0.576118  1
  Mg  Mg128  1  0.279744  0.177421  0.576118  1
  Mg  Mg129  1  0.337880  0.520113  0.562828  1
  Mg  Mg130  1  0.555148  0.501163  0.589432  1
  Mg  Mg131  1  0.888482  0.167830  0.589432  1
  Mg  Mg132  1  0.221815  0.834496  0.589432  1
  Mg  Mg133  1  0.613077  0.844088  0.576118  1
  Mg  Mg134  1  0.671214  0.186779  0.562828  1
  Mg  Mg135  1  0.004547  0.853446  0.562828  1
  Mg  Mg136  1  0.962288  0.328851  0.597992  1
  Mg  Mg137  1  0.295622  0.995517  0.597992  1
  Mg  Mg138  1  0.353641  0.338060  0.584799  1
  Mg  Mg139  1  0.744612  0.347304  0.571363  1
  Mg  Mg140  1  0.077945  0.013971  0.571363  1
  Mg  Mg141  1  0.411278  0.680637  0.571363  1
  Mg  Mg142  1  0.628955  0.662184  0.597992  1
  Mg  Mg143  1  0.686974  0.004727  0.584799  1
  Mg  Mg144  1  0.020308  0.671393  0.584799  1
  Mg  Mg145  1  0.772086  0.482205  0.616409  1
  Mg  Mg146  1  0.105420  0.148872  0.616409  1
  Mg  Mg147  1  0.163813  0.491443  0.602785  1
  Mg  Mg148  1  0.380494  0.473520  0.630081  1
  Mg  Mg149  1  0.713828  0.140187  0.630081  1
  Mg  Mg150  1  0.047161  0.806854  0.630081  1
  Mg  Mg151  1  0.438753  0.815538  0.616409  1
  Mg  Mg152  1  0.497146  0.158110  0.602785  1
  Mg  Mg153  1  0.830479  0.824777  0.602785  1
  Mg  Mg154  1  0.789946  0.300018  0.637750  1
  Mg  Mg155  1  0.123279  0.966684  0.637750  1
  Mg  Mg156  1  0.180335  0.309425  0.624900  1
  Mg  Mg157  1  0.571227  0.318819  0.611665  1
  Mg  Mg158  1  0.904560  0.985486  0.611665  1
  Mg  Mg159  1  0.237894  0.652153  0.611665  1
  Mg  Mg160  1  0.456613  0.633351  0.637750  1
  Mg  Mg161  1  0.513669  0.976091  0.624900  1
  Mg  Mg162  1  0.847002  0.642758  0.624900  1
  Mg  Mg163  1  0.596900  0.453267  0.655861  1
  Mg  Mg164  1  0.930234  0.119934  0.655861  1
  Mg  Mg165  1  0.988730  0.464435  0.643082  1
  Mg  Mg166  1  0.207725  0.442987  0.668750  1
  Mg  Mg167  1  0.541058  0.109654  0.668750  1
  Mg  Mg168  1  0.874391  0.776320  0.668750  1
  Mg  Mg169  1  0.263567  0.786600  0.655861  1
  Mg  Mg170  1  0.322063  0.131102  0.643082  1
  Mg  Mg171  1  0.655396  0.797769  0.643082  1
  Mg  Mg172  1  0.616315  0.275092  0.678356  1
  Mg  Mg173  1  0.949649  0.941758  0.678356  1
  Mg  Mg174  1  0.005909  0.283368  0.663663  1
  Mg  Mg175  1  0.399581  0.289748  0.650921  1
  Mg  Mg176  1  0.732914  0.956415  0.650921  1
  Mg  Mg177  1  0.066247  0.623082  0.650921  1
  Mg  Mg178  1  0.282982  0.608425  0.678356  1
  Mg  Mg179  1  0.339242  0.950034  0.663663  1
  Mg  Mg180  1  0.672575  0.616701  0.663663  1
  Mg  Mg181  1  0.419723  0.426992  0.696619  1
  Mg  Mg182  1  0.753057  0.093658  0.696619  1
  Mg  Mg183  1  0.809560  0.439081  0.683250  1
  Mg  Mg184  1  0.032102  0.413489  0.708374  1
  Mg  Mg185  1  0.365435  0.080156  0.708374  1
  Mg  Mg186  1  0.698769  0.746823  0.708374  1
  Mg  Mg187  1  0.086390  0.760325  0.696619  1
  Mg  Mg188  1  0.142893  0.105748  0.683250  1
  Mg  Mg189  1  0.476227  0.772415  0.683250  1
  Mg  Mg190  1  0.443084  0.239167  0.715513  1
  Mg  Mg191  1  0.776417  0.905834  0.715513  1
  Mg  Mg192  1  0.837006  0.252690  0.703387  1
  Mg  Mg193  1  0.224056  0.264005  0.691480  1
  Mg  Mg194  1  0.557389  0.930671  0.691480  1
  Mg  Mg195  1  0.890723  0.597338  0.691480  1
  Mg  Mg196  1  0.109750  0.572501  0.715513  1
  Mg  Mg197  1  0.170339  0.919357  0.703387  1
  Mg  Mg198  1  0.503672  0.586023  0.703387  1
