# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40548866
_cell_length_b   31.22256333
_cell_length_c   49.59177193
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.10123962
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg252
_cell_volume   13012.5054613
_cell_formula_units_Z   252
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  0.366708  0.616089  0.323355  1
  Mg  Mg2  1  0.344599  0.285883  0.303224  1
  Mg  Mg3  1  0.314610  0.957127  0.282914  1
  Mg  Mg4  1  0.699325  0.282745  0.323320  1
  Mg  Mg5  1  0.672400  0.952486  0.302918  1
  Mg  Mg6  1  0.030640  0.949499  0.323437  1
  Mg  Mg7  1  0.722754  0.612964  0.343855  1
  Mg  Mg8  1  0.011960  0.619237  0.303244  1
  Mg  Mg9  1  0.055643  0.279612  0.343849  1
  Mg  Mg10  1  0.489047  0.364093  0.335519  1
  Mg  Mg11  1  0.464459  0.034331  0.314956  1
  Mg  Mg12  1  0.444855  0.705106  0.295112  1
  Mg  Mg13  1  0.821558  0.030704  0.335451  1
  Mg  Mg14  1  0.799616  0.701083  0.314972  1
  Mg  Mg15  1  0.156720  0.697449  0.335535  1
  Mg  Mg16  1  0.776507  0.371808  0.295064  1
  Mg  Mg17  1  0.131537  0.367721  0.314883  1
  Mg  Mg18  1  0.110019  0.037768  0.294859  1
  Mg  Mg19  1  0.352182  0.450960  0.313190  1
  Mg  Mg20  1  0.329080  0.121230  0.293028  1
  Mg  Mg21  1  0.377533  0.781320  0.333896  1
  Mg  Mg22  1  0.685568  0.117817  0.313307  1
  Mg  Mg23  1  0.664886  0.788476  0.293015  1
  Mg  Mg24  1  0.020167  0.784468  0.313226  1
  Mg  Mg25  1  0.710089  0.447890  0.333971  1
  Mg  Mg26  1  0.995755  0.455242  0.293020  1
  Mg  Mg27  1  0.043117  0.114485  0.333907  1
  Mg  Mg28  1  0.573495  0.534146  0.311924  1
  Mg  Mg29  1  0.549033  0.204211  0.291606  1
  Mg  Mg30  1  0.597910  0.865090  0.331969  1
  Mg  Mg31  1  0.906354  0.200924  0.311916  1
  Mg  Mg32  1  0.885397  0.871523  0.291396  1
  Mg  Mg33  1  0.241215  0.868421  0.311593  1
  Mg  Mg34  1  0.931547  0.531565  0.332246  1
  Mg  Mg35  1  0.216730  0.537703  0.291598  1
  Mg  Mg36  1  0.264422  0.198107  0.332195  1
  Mg  Mg37  1  0.436188  0.606259  0.385446  1
  Mg  Mg38  1  0.412810  0.276184  0.364711  1
  Mg  Mg39  1  0.387488  0.946388  0.344170  1
  Mg  Mg40  1  0.769209  0.272935  0.385446  1
  Mg  Mg41  1  0.744599  0.942863  0.364751  1
  Mg  Mg42  1  0.101489  0.939552  0.385574  1
  Mg  Mg43  1  0.793056  0.602960  0.406293  1
  Mg  Mg44  1  0.080006  0.609540  0.364730  1
  Mg  Mg45  1  0.126083  0.269631  0.406295  1
  Mg  Mg46  1  0.560009  0.354302  0.397730  1
  Mg  Mg47  1  0.536076  0.024325  0.376912  1
  Mg  Mg48  1  0.513514  0.694428  0.356358  1
  Mg  Mg49  1  0.893064  0.020974  0.397722  1
  Mg  Mg50  1  0.870269  0.690907  0.376832  1
  Mg  Mg51  1  0.227079  0.687630  0.397761  1
  Mg  Mg52  1  0.846151  0.361036  0.356319  1
  Mg  Mg53  1  0.203048  0.357565  0.376800  1
  Mg  Mg54  1  0.179281  0.027633  0.356176  1
  Mg  Mg55  1  0.423507  0.441198  0.375113  1
  Mg  Mg56  1  0.400102  0.111259  0.354426  1
  Mg  Mg57  1  0.447454  0.771302  0.396039  1
  Mg  Mg58  1  0.756752  0.107890  0.375159  1
  Mg  Mg59  1  0.733985  0.777859  0.354323  1
  Mg  Mg60  1  0.090603  0.774524  0.375118  1
  Mg  Mg61  1  0.780597  0.437974  0.396034  1
  Mg  Mg62  1  0.066850  0.444451  0.354319  1
  Mg  Mg63  1  0.113785  0.104609  0.396019  1
  Mg  Mg64  1  0.644422  0.524935  0.373515  1
  Mg  Mg65  1  0.620900  0.194765  0.352748  1
  Mg  Mg66  1  0.667836  0.854824  0.394189  1
  Mg  Mg67  1  0.977544  0.191580  0.373505  1
  Mg  Mg68  1  0.954490  0.861363  0.352632  1
  Mg  Mg69  1  0.310930  0.858260  0.373439  1
  Mg  Mg70  1  0.001455  0.521492  0.394255  1
  Mg  Mg71  1  0.287892  0.528006  0.352711  1
  Mg  Mg72  1  0.334523  0.188206  0.394287  1
  Mg  Mg73  1  0.506858  0.596274  0.448224  1
  Mg  Mg74  1  0.483129  0.266262  0.427333  1
  Mg  Mg75  1  0.458847  0.936244  0.406558  1
  Mg  Mg76  1  0.840064  0.262946  0.448225  1
  Mg  Mg77  1  0.815801  0.932893  0.427389  1
  Mg  Mg78  1  0.172784  0.929578  0.448319  1
  Mg  Mg79  1  0.863700  0.592965  0.469128  1
  Mg  Mg80  1  0.149978  0.599573  0.427332  1
  Mg  Mg81  1  0.196952  0.259638  0.469129  1
  Mg  Mg82  1  0.631119  0.344333  0.460485  1
  Mg  Mg83  1  0.607229  0.014317  0.439602  1
  Mg  Mg84  1  0.584108  0.684276  0.418742  1
  Mg  Mg85  1  0.964119  0.010981  0.460497  1
  Mg  Mg86  1  0.940977  0.680958  0.439563  1
  Mg  Mg87  1  0.297893  0.677646  0.460507  1
  Mg  Mg88  1  0.917159  0.350963  0.418718  1
  Mg  Mg89  1  0.274125  0.347642  0.439538  1
  Mg  Mg90  1  0.250115  0.017627  0.418714  1
  Mg  Mg91  1  0.494716  0.431263  0.437801  1
  Mg  Mg92  1  0.470831  0.101259  0.416958  1
  Mg  Mg93  1  0.518316  0.761260  0.458768  1
  Mg  Mg94  1  0.827928  0.097927  0.437835  1
  Mg  Mg95  1  0.804423  0.767865  0.416898  1
  Mg  Mg96  1  0.161403  0.764568  0.437825  1
  Mg  Mg97  1  0.851678  0.427947  0.458749  1
  Mg  Mg98  1  0.137655  0.434549  0.416887  1
  Mg  Mg99  1  0.184846  0.094608  0.458762  1
  Mg  Mg100  1  0.715465  0.514913  0.436094  1
  Mg  Mg101  1  0.691623  0.184861  0.415217  1
  Mg  Mg102  1  0.738687  0.844865  0.456967  1
  Mg  Mg103  1  0.048667  0.181565  0.436102  1
  Mg  Mg104  1  0.024826  0.851481  0.415185  1
  Mg  Mg105  1  0.381824  0.848207  0.436104  1
  Mg  Mg106  1  0.072346  0.511541  0.456981  1
  Mg  Mg107  1  0.358426  0.518181  0.415193  1
  Mg  Mg108  1  0.405585  0.178227  0.457010  1
  Mg  Mg109  1  0.577512  0.586329  0.511009  1
  Mg  Mg110  1  0.553963  0.256307  0.490095  1
  Mg  Mg111  1  0.529849  0.926262  0.469275  1
  Mg  Mg112  1  0.910885  0.252987  0.511011  1
  Mg  Mg113  1  0.886737  0.922943  0.490161  1
  Mg  Mg114  1  0.243636  0.919631  0.511078  1
  Mg  Mg115  1  0.934375  0.583011  0.531894  1
  Mg  Mg116  1  0.220638  0.589633  0.490091  1
  Mg  Mg117  1  0.267825  0.249671  0.531901  1
  Mg  Mg118  1  0.701989  0.334389  0.523238  1
  Mg  Mg119  1  0.678098  0.004344  0.502347  1
  Mg  Mg120  1  0.654844  0.674331  0.481459  1
  Mg  Mg121  1  0.035001  0.001036  0.523249  1
  Mg  Mg122  1  0.011699  0.671023  0.502327  1
  Mg  Mg123  1  0.368591  0.667719  0.523259  1
  Mg  Mg124  1  0.988136  0.341005  0.481435  1
  Mg  Mg125  1  0.345052  0.337696  0.502312  1
  Mg  Mg126  1  0.321143  0.007663  0.481439  1
  Mg  Mg127  1  0.565577  0.421315  0.500564  1
  Mg  Mg128  1  0.541863  0.091283  0.479682  1
  Mg  Mg129  1  0.589038  0.751327  0.521520  1
  Mg  Mg130  1  0.898810  0.087967  0.500590  1
  Mg  Mg131  1  0.875218  0.757938  0.479656  1
  Mg  Mg132  1  0.232131  0.754633  0.500588  1
  Mg  Mg133  1  0.922515  0.417993  0.521483  1
  Mg  Mg134  1  0.208656  0.424615  0.479642  1
  Mg  Mg135  1  0.255750  0.084649  0.521497  1
  Mg  Mg136  1  0.786199  0.504930  0.498815  1
  Mg  Mg137  1  0.762599  0.174898  0.477932  1
  Mg  Mg138  1  0.809437  0.834933  0.519716  1
  Mg  Mg139  1  0.119530  0.171591  0.498833  1
  Mg  Mg140  1  0.095654  0.841548  0.477918  1
  Mg  Mg141  1  0.452572  0.838245  0.498849  1
  Mg  Mg142  1  0.143108  0.501609  0.519713  1
  Mg  Mg143  1  0.429309  0.508235  0.477909  1
  Mg  Mg144  1  0.476495  0.168268  0.519740  1
  Mg  Mg145  1  0.648336  0.576381  0.573780  1
  Mg  Mg146  1  0.624883  0.246353  0.552857  1
  Mg  Mg147  1  0.600623  0.916301  0.532044  1
  Mg  Mg148  1  0.981893  0.243025  0.573786  1
  Mg  Mg149  1  0.957460  0.912991  0.552947  1
  Mg  Mg150  1  0.314362  0.909677  0.573839  1
  Mg  Mg151  1  0.005233  0.573024  0.594612  1
  Mg  Mg152  1  0.291388  0.579693  0.552852  1
  Mg  Mg153  1  0.338920  0.239683  0.594623  1
  Mg  Mg154  1  0.772867  0.324435  0.585972  1
  Mg  Mg155  1  0.748901  0.994371  0.565082  1
  Mg  Mg156  1  0.725546  0.664402  0.544210  1
  Mg  Mg157  1  0.105922  0.991068  0.585966  1
  Mg  Mg158  1  0.082385  0.661063  0.565076  1
  Mg  Mg159  1  0.439362  0.657782  0.585994  1
  Mg  Mg160  1  0.059000  0.331049  0.544183  1
  Mg  Mg161  1  0.415881  0.327743  0.565071  1
  Mg  Mg162  1  0.392003  0.997707  0.544170  1
  Mg  Mg163  1  0.636334  0.411370  0.563321  1
  Mg  Mg164  1  0.612769  0.081322  0.542417  1
  Mg  Mg165  1  0.659823  0.741395  0.584278  1
  Mg  Mg166  1  0.969682  0.078009  0.563347  1
  Mg  Mg167  1  0.945941  0.748003  0.542407  1
  Mg  Mg168  1  0.302848  0.744701  0.563354  1
  Mg  Mg169  1  0.993355  0.408020  0.584210  1
  Mg  Mg170  1  0.279463  0.414675  0.542395  1
  Mg  Mg171  1  0.326776  0.074670  0.584223  1
  Mg  Mg172  1  0.856926  0.494964  0.561552  1
  Mg  Mg173  1  0.833527  0.164948  0.540683  1
  Mg  Mg174  1  0.880211  0.824979  0.582433  1
  Mg  Mg175  1  0.190443  0.161614  0.561580  1
  Mg  Mg176  1  0.166395  0.831615  0.540669  1
  Mg  Mg177  1  0.523335  0.828306  0.561613  1
  Mg  Mg178  1  0.213961  0.491649  0.582439  1
  Mg  Mg179  1  0.500078  0.498301  0.540657  1
  Mg  Mg180  1  0.547564  0.158295  0.582466  1
  Mg  Mg181  1  0.719342  0.566398  0.636419  1
  Mg  Mg182  1  0.696226  0.236363  0.615609  1
  Mg  Mg183  1  0.671362  0.906299  0.594881  1
  Mg  Mg184  1  0.053275  0.233090  0.636445  1
  Mg  Mg185  1  0.028171  0.902989  0.615730  1
  Mg  Mg186  1  0.384519  0.899740  0.636459  1
  Mg  Mg187  1  0.076391  0.562880  0.656989  1
  Mg  Mg188  1  0.362532  0.569707  0.615601  1
  Mg  Mg189  1  0.410261  0.229557  0.657021  1
  Mg  Mg190  1  0.843344  0.314483  0.648510  1
  Mg  Mg191  1  0.819962  0.984348  0.627677  1
  Mg  Mg192  1  0.796333  0.654441  0.606991  1
  Mg  Mg193  1  0.176581  0.981166  0.648432  1
  Mg  Mg194  1  0.153215  0.651009  0.627739  1
  Mg  Mg195  1  0.509617  0.647898  0.648548  1
  Mg  Mg196  1  0.129976  0.321065  0.606962  1
  Mg  Mg197  1  0.486809  0.317691  0.627751  1
  Mg  Mg198  1  0.463011  0.987724  0.606895  1
  Mg  Mg199  1  0.707121  0.401385  0.626013  1
  Mg  Mg200  1  0.683820  0.071332  0.605164  1
  Mg  Mg201  1  0.730242  0.731408  0.646856  1
  Mg  Mg202  1  0.040842  0.068044  0.626022  1
  Mg  Mg203  1  0.016789  0.737971  0.605141  1
  Mg  Mg204  1  0.373631  0.734742  0.626060  1
  Mg  Mg205  1  0.063734  0.397949  0.646757  1
  Mg  Mg206  1  0.350313  0.404672  0.605155  1
  Mg  Mg207  1  0.397490  0.064675  0.646755  1
  Mg  Mg208  1  0.927795  0.484930  0.624238  1
  Mg  Mg209  1  0.904640  0.154971  0.603467  1
  Mg  Mg210  1  0.950818  0.814856  0.644829  1
  Mg  Mg211  1  0.261628  0.151606  0.624270  1
  Mg  Mg212  1  0.237263  0.821645  0.603424  1
  Mg  Mg213  1  0.594069  0.818352  0.624344  1
  Mg  Mg214  1  0.284464  0.481599  0.644980  1
  Mg  Mg215  1  0.570927  0.488308  0.603432  1
  Mg  Mg216  1  0.618417  0.148321  0.645017  1
  Mg  Mg217  1  0.791266  0.556795  0.698237  1
  Mg  Mg218  1  0.767273  0.226450  0.677782  1
  Mg  Mg219  1  0.741626  0.896307  0.657324  1
  Mg  Mg220  1  0.125435  0.223475  0.698266  1
  Mg  Mg221  1  0.097863  0.893187  0.677850  1
  Mg  Mg222  1  0.452528  0.890052  0.697938  1
  Mg  Mg223  1  0.148887  0.552137  0.718238  1
  Mg  Mg224  1  0.433114  0.559755  0.677744  1
  Mg  Mg225  1  0.483171  0.218764  0.718280  1
  Mg  Mg226  1  0.913061  0.304597  0.709773  1
  Mg  Mg227  1  0.891071  0.975017  0.689263  1
  Mg  Mg228  1  0.866175  0.644179  0.669208  1
  Mg  Mg229  1  0.248352  0.971730  0.709573  1
  Mg  Mg230  1  0.222825  0.640850  0.689586  1
  Mg  Mg231  1  0.578618  0.637761  0.709781  1
  Mg  Mg232  1  0.200036  0.310976  0.669264  1
  Mg  Mg233  1  0.556747  0.307445  0.689594  1
  Mg  Mg234  1  0.533033  0.977821  0.668985  1
  Mg  Mg235  1  0.777444  0.391301  0.687835  1
  Mg  Mg236  1  0.754455  0.061447  0.667268  1
  Mg  Mg237  1  0.799316  0.720785  0.708165  1
  Mg  Mg238  1  0.111987  0.058119  0.687872  1
  Mg  Mg239  1  0.086679  0.727951  0.667281  1
  Mg  Mg240  1  0.444028  0.724804  0.687950  1
  Mg  Mg241  1  0.132788  0.388146  0.708161  1
  Mg  Mg242  1  0.420407  0.394691  0.667332  1
  Mg  Mg243  1  0.468476  0.054689  0.708153  1
  Mg  Mg244  1  0.998694  0.474957  0.686156  1
  Mg  Mg245  1  0.976144  0.145234  0.665734  1
  Mg  Mg246  1  0.019438  0.804149  0.706071  1
  Mg  Mg247  1  0.333211  0.141597  0.686227  1
  Mg  Mg248  1  0.307621  0.811821  0.665646  1
  Mg  Mg249  1  0.664690  0.808182  0.686207  1
  Mg  Mg250  1  0.352995  0.471459  0.706286  1
  Mg  Mg251  1  0.641945  0.478545  0.665710  1
  Mg  Mg252  1  0.687676  0.138129  0.706327  1
