# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.85920803
_cell_length_b   16.75679046
_cell_length_c   45.78117872
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.28637676
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg198
_cell_volume   10127.9572555
_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  0.160103  0.710954  0.300697  1
  Mg  Mg2  1  0.493437  0.377621  0.300697  1
  Mg  Mg3  1  0.553429  0.722434  0.287275  1
  Mg  Mg4  1  0.768457  0.700743  0.312497  1
  Mg  Mg5  1  0.101790  0.367410  0.312497  1
  Mg  Mg6  1  0.435123  0.034077  0.312497  1
  Mg  Mg7  1  0.826770  0.044287  0.300697  1
  Mg  Mg8  1  0.886762  0.389100  0.287275  1
  Mg  Mg9  1  0.220095  0.055767  0.287275  1
  Mg  Mg10  1  0.175226  0.527451  0.321452  1
  Mg  Mg11  1  0.508559  0.194117  0.321452  1
  Mg  Mg12  1  0.568731  0.538136  0.308123  1
  Mg  Mg13  1  0.958935  0.547443  0.295792  1
  Mg  Mg14  1  0.292268  0.214110  0.295792  1
  Mg  Mg15  1  0.625602  0.880777  0.295792  1
  Mg  Mg16  1  0.841892  0.860784  0.321452  1
  Mg  Mg17  1  0.902065  0.204803  0.308123  1
  Mg  Mg18  1  0.235398  0.871470  0.308123  1
  Mg  Mg19  1  0.986596  0.681621  0.338829  1
  Mg  Mg20  1  0.319930  0.348287  0.338829  1
  Mg  Mg21  1  0.378144  0.691034  0.325110  1
  Mg  Mg22  1  0.594530  0.673421  0.351853  1
  Mg  Mg23  1  0.927863  0.340088  0.351853  1
  Mg  Mg24  1  0.261196  0.006754  0.351853  1
  Mg  Mg25  1  0.653263  0.014954  0.338829  1
  Mg  Mg26  1  0.711477  0.357700  0.325110  1
  Mg  Mg27  1  0.044810  0.024367  0.325110  1
  Mg  Mg28  1  0.001154  0.499595  0.360402  1
  Mg  Mg29  1  0.334488  0.166262  0.360402  1
  Mg  Mg30  1  0.392852  0.510064  0.347226  1
  Mg  Mg31  1  0.783945  0.519220  0.333991  1
  Mg  Mg32  1  0.117279  0.185887  0.333991  1
  Mg  Mg33  1  0.450612  0.852554  0.333991  1
  Mg  Mg34  1  0.667821  0.832928  0.360402  1
  Mg  Mg35  1  0.726185  0.176730  0.347226  1
  Mg  Mg36  1  0.059519  0.843397  0.347226  1
  Mg  Mg37  1  0.812340  0.654250  0.378086  1
  Mg  Mg38  1  0.145673  0.320917  0.378086  1
  Mg  Mg39  1  0.203372  0.663751  0.365230  1
  Mg  Mg40  1  0.420944  0.645005  0.391350  1
  Mg  Mg41  1  0.754277  0.311672  0.391350  1
  Mg  Mg42  1  0.087611  0.978339  0.391350  1
  Mg  Mg43  1  0.479007  0.987584  0.378086  1
  Mg  Mg44  1  0.536706  0.330418  0.365230  1
  Mg  Mg45  1  0.870039  0.997085  0.365230  1
  Mg  Mg46  1  0.826653  0.472249  0.400297  1
  Mg  Mg47  1  0.159986  0.138916  0.400297  1
  Mg  Mg48  1  0.218464  0.481410  0.386988  1
  Mg  Mg49  1  0.609734  0.490337  0.373354  1
  Mg  Mg50  1  0.943067  0.157004  0.373354  1
  Mg  Mg51  1  0.276400  0.823670  0.373354  1
  Mg  Mg52  1  0.493319  0.805582  0.400297  1
  Mg  Mg53  1  0.551797  0.148077  0.386988  1
  Mg  Mg54  1  0.885131  0.814744  0.386988  1
  Mg  Mg55  1  0.638275  0.625957  0.418327  1
  Mg  Mg56  1  0.971608  0.292624  0.418327  1
  Mg  Mg57  1  0.029697  0.635370  0.404871  1
  Mg  Mg58  1  0.247089  0.616687  0.431872  1
  Mg  Mg59  1  0.580422  0.283353  0.431872  1
  Mg  Mg60  1  0.913755  0.950020  0.431872  1
  Mg  Mg61  1  0.304941  0.959290  0.418327  1
  Mg  Mg62  1  0.363031  0.302036  0.404871  1
  Mg  Mg63  1  0.696364  0.968703  0.404871  1
  Mg  Mg64  1  0.653034  0.443769  0.440579  1
  Mg  Mg65  1  0.986367  0.110436  0.440579  1
  Mg  Mg66  1  0.044501  0.453081  0.427237  1
  Mg  Mg67  1  0.435523  0.462839  0.413699  1
  Mg  Mg68  1  0.768856  0.129506  0.413699  1
  Mg  Mg69  1  0.102189  0.796172  0.413699  1
  Mg  Mg70  1  0.319700  0.777102  0.440579  1
  Mg  Mg71  1  0.377834  0.119748  0.427237  1
  Mg  Mg72  1  0.711167  0.786415  0.427237  1
  Mg  Mg73  1  0.464518  0.597937  0.458589  1
  Mg  Mg74  1  0.797851  0.264604  0.458589  1
  Mg  Mg75  1  0.855879  0.607285  0.445179  1
  Mg  Mg76  1  0.073341  0.588531  0.472106  1
  Mg  Mg77  1  0.406674  0.255198  0.472106  1
  Mg  Mg78  1  0.740007  0.921864  0.472106  1
  Mg  Mg79  1  0.131184  0.931271  0.458589  1
  Mg  Mg80  1  0.189212  0.273951  0.445179  1
  Mg  Mg81  1  0.522546  0.940618  0.445179  1
  Mg  Mg82  1  0.479211  0.415758  0.481006  1
  Mg  Mg83  1  0.812545  0.082424  0.481006  1
  Mg  Mg84  1  0.870506  0.425075  0.467511  1
  Mg  Mg85  1  0.261967  0.434360  0.454109  1
  Mg  Mg86  1  0.595301  0.101027  0.454109  1
  Mg  Mg87  1  0.928634  0.767693  0.454109  1
  Mg  Mg88  1  0.145878  0.749091  0.481006  1
  Mg  Mg89  1  0.203839  0.091742  0.467511  1
  Mg  Mg90  1  0.537173  0.758409  0.467511  1
  Mg  Mg91  1  0.290715  0.569891  0.499038  1
  Mg  Mg92  1  0.624049  0.236557  0.499038  1
  Mg  Mg93  1  0.681976  0.579241  0.485518  1
  Mg  Mg94  1  0.899370  0.560587  0.512399  1
  Mg  Mg95  1  0.232703  0.227254  0.512399  1
  Mg  Mg96  1  0.566036  0.893920  0.512399  1
  Mg  Mg97  1  0.957382  0.903224  0.499038  1
  Mg  Mg98  1  0.015309  0.245908  0.485518  1
  Mg  Mg99  1  0.348642  0.912575  0.485518  1
  Mg  Mg100  1  0.305358  0.387721  0.521337  1
  Mg  Mg101  1  0.638692  0.054388  0.521337  1
  Mg  Mg102  1  0.696619  0.397072  0.507817  1
  Mg  Mg103  1  0.087964  0.406375  0.494457  1
  Mg  Mg104  1  0.421298  0.073042  0.494457  1
  Mg  Mg105  1  0.754631  0.739709  0.494457  1
  Mg  Mg106  1  0.972025  0.721054  0.521337  1
  Mg  Mg107  1  0.029952  0.063738  0.507817  1
  Mg  Mg108  1  0.363285  0.730405  0.507817  1
  Mg  Mg109  1  0.116828  0.541887  0.539345  1
  Mg  Mg110  1  0.450161  0.208554  0.539345  1
  Mg  Mg111  1  0.508123  0.551205  0.525849  1
  Mg  Mg112  1  0.725367  0.532602  0.552747  1
  Mg  Mg113  1  0.058700  0.199269  0.552747  1
  Mg  Mg114  1  0.392033  0.865936  0.552747  1
  Mg  Mg115  1  0.783495  0.875220  0.539345  1
  Mg  Mg116  1  0.841456  0.217871  0.525849  1
  Mg  Mg117  1  0.174790  0.884538  0.525849  1
  Mg  Mg118  1  0.131455  0.359678  0.561676  1
  Mg  Mg119  1  0.464788  0.026344  0.561676  1
  Mg  Mg120  1  0.522816  0.369025  0.548267  1
  Mg  Mg121  1  0.913993  0.378431  0.534750  1
  Mg  Mg122  1  0.247327  0.045098  0.534750  1
  Mg  Mg123  1  0.580660  0.711765  0.534750  1
  Mg  Mg124  1  0.798122  0.693011  0.561676  1
  Mg  Mg125  1  0.856150  0.035692  0.548267  1
  Mg  Mg126  1  0.189483  0.702358  0.548267  1
  Mg  Mg127  1  0.942833  0.513881  0.579619  1
  Mg  Mg128  1  0.276167  0.180548  0.579619  1
  Mg  Mg129  1  0.334301  0.523193  0.566277  1
  Mg  Mg130  1  0.551811  0.504123  0.593157  1
  Mg  Mg131  1  0.885145  0.170790  0.593157  1
  Mg  Mg132  1  0.218478  0.837457  0.593157  1
  Mg  Mg133  1  0.609500  0.847214  0.579619  1
  Mg  Mg134  1  0.667634  0.189860  0.566277  1
  Mg  Mg135  1  0.000967  0.856527  0.566277  1
  Mg  Mg136  1  0.957637  0.331593  0.601984  1
  Mg  Mg137  1  0.290970  0.998259  0.601984  1
  Mg  Mg138  1  0.349059  0.341005  0.588528  1
  Mg  Mg139  1  0.740245  0.350276  0.574984  1
  Mg  Mg140  1  0.073579  0.016942  0.574984  1
  Mg  Mg141  1  0.406912  0.683609  0.574984  1
  Mg  Mg142  1  0.624303  0.664926  0.601984  1
  Mg  Mg143  1  0.682393  0.007672  0.588528  1
  Mg  Mg144  1  0.015726  0.674339  0.588528  1
  Mg  Mg145  1  0.768870  0.485552  0.619868  1
  Mg  Mg146  1  0.102203  0.152219  0.619868  1
  Mg  Mg147  1  0.160681  0.494713  0.606559  1
  Mg  Mg148  1  0.377600  0.476625  0.633502  1
  Mg  Mg149  1  0.710934  0.143292  0.633502  1
  Mg  Mg150  1  0.044267  0.809959  0.633502  1
  Mg  Mg151  1  0.435537  0.818885  0.619868  1
  Mg  Mg152  1  0.494015  0.161380  0.606559  1
  Mg  Mg153  1  0.827348  0.828047  0.606559  1
  Mg  Mg154  1  0.783962  0.303211  0.641625  1
  Mg  Mg155  1  0.117295  0.969878  0.641625  1
  Mg  Mg156  1  0.174994  0.312712  0.628770  1
  Mg  Mg157  1  0.566390  0.321957  0.615506  1
  Mg  Mg158  1  0.899724  0.988624  0.615506  1
  Mg  Mg159  1  0.233057  0.655290  0.615506  1
  Mg  Mg160  1  0.450629  0.636544  0.641625  1
  Mg  Mg161  1  0.508328  0.979379  0.628770  1
  Mg  Mg162  1  0.841661  0.646045  0.628770  1
  Mg  Mg163  1  0.594482  0.456899  0.659630  1
  Mg  Mg164  1  0.927816  0.123565  0.659630  1
  Mg  Mg165  1  0.986180  0.467367  0.646454  1
  Mg  Mg166  1  0.203389  0.447742  0.672865  1
  Mg  Mg167  1  0.536722  0.114408  0.672865  1
  Mg  Mg168  1  0.870056  0.781075  0.672865  1
  Mg  Mg169  1  0.261149  0.790232  0.659630  1
  Mg  Mg170  1  0.319513  0.134034  0.646454  1
  Mg  Mg171  1  0.652846  0.800701  0.646454  1
  Mg  Mg172  1  0.609190  0.275929  0.681745  1
  Mg  Mg173  1  0.942524  0.942595  0.681745  1
  Mg  Mg174  1  0.000738  0.285342  0.668027  1
  Mg  Mg175  1  0.392804  0.293541  0.655002  1
  Mg  Mg176  1  0.726138  0.960208  0.655002  1
  Mg  Mg177  1  0.059471  0.626875  0.655002  1
  Mg  Mg178  1  0.275857  0.609262  0.681745  1
  Mg  Mg179  1  0.334071  0.952008  0.668027  1
  Mg  Mg180  1  0.667404  0.618675  0.668027  1
  Mg  Mg181  1  0.418603  0.428826  0.698733  1
  Mg  Mg182  1  0.751936  0.095493  0.698733  1
  Mg  Mg183  1  0.812108  0.439512  0.685404  1
  Mg  Mg184  1  0.028399  0.419519  0.711064  1
  Mg  Mg185  1  0.361732  0.086186  0.711064  1
  Mg  Mg186  1  0.695066  0.752852  0.711064  1
  Mg  Mg187  1  0.085269  0.762159  0.698733  1
  Mg  Mg188  1  0.145442  0.106178  0.685404  1
  Mg  Mg189  1  0.478775  0.772845  0.685404  1
  Mg  Mg190  1  0.433905  0.244529  0.719581  1
  Mg  Mg191  1  0.767239  0.911195  0.719581  1
  Mg  Mg192  1  0.827231  0.256008  0.706159  1
  Mg  Mg193  1  0.218878  0.266219  0.694359  1
  Mg  Mg194  1  0.552211  0.932886  0.694359  1
  Mg  Mg195  1  0.885544  0.599552  0.694359  1
  Mg  Mg196  1  0.100572  0.577862  0.719581  1
  Mg  Mg197  1  0.160564  0.922675  0.706159  1
  Mg  Mg198  1  0.493898  0.589342  0.706159  1
