# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40706496
_cell_length_b   31.21981319
_cell_length_c   49.46836581
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.10112809
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg252
_cell_volume   12981.4157813
_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  0.367895  0.615730  0.328048  1
  Mg  Mg2  1  0.342525  0.285072  0.307968  1
  Mg  Mg3  1  0.318529  0.956686  0.288333  1
  Mg  Mg4  1  0.701229  0.282396  0.328048  1
  Mg  Mg5  1  0.675859  0.951739  0.307968  1
  Mg  Mg6  1  0.034562  0.949063  0.328048  1
  Mg  Mg7  1  0.651862  0.623352  0.288333  1
  Mg  Mg8  1  0.009192  0.618406  0.307968  1
  Mg  Mg9  1  0.985195  0.290019  0.288333  1
  Mg  Mg10  1  0.493328  0.363587  0.339933  1
  Mg  Mg11  1  0.469901  0.033817  0.319733  1
  Mg  Mg12  1  0.451671  0.704013  0.299991  1
  Mg  Mg13  1  0.826661  0.030254  0.339933  1
  Mg  Mg14  1  0.803235  0.700483  0.319733  1
  Mg  Mg15  1  0.159995  0.696921  0.339933  1
  Mg  Mg16  1  0.785004  0.370680  0.299991  1
  Mg  Mg17  1  0.136568  0.367150  0.319733  1
  Mg  Mg18  1  0.118338  0.037346  0.299991  1
  Mg  Mg19  1  0.357444  0.451085  0.318329  1
  Mg  Mg20  1  0.337212  0.120663  0.298230  1
  Mg  Mg21  1  0.381737  0.780766  0.338441  1
  Mg  Mg22  1  0.690778  0.117752  0.318329  1
  Mg  Mg23  1  0.670545  0.787330  0.298230  1
  Mg  Mg24  1  0.024111  0.784418  0.318329  1
  Mg  Mg25  1  0.715070  0.447433  0.338441  1
  Mg  Mg26  1  0.003878  0.453997  0.298230  1
  Mg  Mg27  1  0.048404  0.114099  0.338441  1
  Mg  Mg28  1  0.577976  0.534913  0.316603  1
  Mg  Mg29  1  0.555927  0.204174  0.296651  1
  Mg  Mg30  1  0.601559  0.864574  0.336462  1
  Mg  Mg31  1  0.911309  0.201579  0.316603  1
  Mg  Mg32  1  0.889261  0.870841  0.296651  1
  Mg  Mg33  1  0.244642  0.868246  0.316603  1
  Mg  Mg34  1  0.934892  0.531240  0.336462  1
  Mg  Mg35  1  0.222594  0.537507  0.296651  1
  Mg  Mg36  1  0.268225  0.197907  0.336462  1
  Mg  Mg37  1  0.438609  0.605814  0.389971  1
  Mg  Mg38  1  0.414986  0.275752  0.369178  1
  Mg  Mg39  1  0.391312  0.946066  0.348840  1
  Mg  Mg40  1  0.771943  0.272480  0.389971  1
  Mg  Mg41  1  0.748320  0.942419  0.369178  1
  Mg  Mg42  1  0.105276  0.939147  0.389971  1
  Mg  Mg43  1  0.724646  0.612733  0.348840  1
  Mg  Mg44  1  0.081653  0.609085  0.369178  1
  Mg  Mg45  1  0.057979  0.279400  0.348840  1
  Mg  Mg46  1  0.564049  0.353853  0.402087  1
  Mg  Mg47  1  0.540760  0.023968  0.381277  1
  Mg  Mg48  1  0.517631  0.693885  0.360592  1
  Mg  Mg49  1  0.897383  0.020519  0.402087  1
  Mg  Mg50  1  0.874094  0.690634  0.381277  1
  Mg  Mg51  1  0.230716  0.687186  0.402087  1
  Mg  Mg52  1  0.850964  0.360551  0.360592  1
  Mg  Mg53  1  0.207427  0.357301  0.381277  1
  Mg  Mg54  1  0.184298  0.027218  0.360592  1
  Mg  Mg55  1  0.427881  0.440812  0.379586  1
  Mg  Mg56  1  0.404608  0.110898  0.358913  1
  Mg  Mg57  1  0.451198  0.770803  0.400427  1
  Mg  Mg58  1  0.761214  0.107479  0.379586  1
  Mg  Mg59  1  0.737941  0.777565  0.358913  1
  Mg  Mg60  1  0.094548  0.774146  0.379586  1
  Mg  Mg61  1  0.784531  0.437469  0.400427  1
  Mg  Mg62  1  0.071274  0.444232  0.358913  1
  Mg  Mg63  1  0.117865  0.104136  0.400427  1
  Mg  Mg64  1  0.647846  0.524468  0.377881  1
  Mg  Mg65  1  0.624442  0.194390  0.357211  1
  Mg  Mg66  1  0.671269  0.854424  0.398629  1
  Mg  Mg67  1  0.981179  0.191135  0.377881  1
  Mg  Mg68  1  0.957776  0.861056  0.357211  1
  Mg  Mg69  1  0.314512  0.857802  0.377881  1
  Mg  Mg70  1  0.004602  0.521091  0.398629  1
  Mg  Mg71  1  0.291109  0.527723  0.357211  1
  Mg  Mg72  1  0.337935  0.187758  0.398629  1
  Mg  Mg73  1  0.510139  0.595780  0.452910  1
  Mg  Mg74  1  0.486440  0.265777  0.431934  1
  Mg  Mg75  1  0.462789  0.935803  0.411079  1
  Mg  Mg76  1  0.843473  0.262447  0.452910  1
  Mg  Mg77  1  0.819773  0.932444  0.431934  1
  Mg  Mg78  1  0.176806  0.929113  0.452910  1
  Mg  Mg79  1  0.796122  0.602469  0.411079  1
  Mg  Mg80  1  0.153106  0.599111  0.431934  1
  Mg  Mg81  1  0.129455  0.269136  0.411079  1
  Mg  Mg82  1  0.634961  0.343840  0.465094  1
  Mg  Mg83  1  0.611450  0.013852  0.444146  1
  Mg  Mg84  1  0.587732  0.683845  0.423219  1
  Mg  Mg85  1  0.968294  0.010506  0.465094  1
  Mg  Mg86  1  0.944783  0.680519  0.444146  1
  Mg  Mg87  1  0.301627  0.677173  0.465094  1
  Mg  Mg88  1  0.921065  0.350511  0.423219  1
  Mg  Mg89  1  0.278116  0.347186  0.444146  1
  Mg  Mg90  1  0.254399  0.017178  0.423219  1
  Mg  Mg91  1  0.498704  0.430754  0.442407  1
  Mg  Mg92  1  0.474965  0.100801  0.421474  1
  Mg  Mg93  1  0.522214  0.760793  0.463384  1
  Mg  Mg94  1  0.832037  0.097421  0.442407  1
  Mg  Mg95  1  0.808298  0.767467  0.421474  1
  Mg  Mg96  1  0.165370  0.764087  0.442407  1
  Mg  Mg97  1  0.855548  0.427460  0.463384  1
  Mg  Mg98  1  0.141632  0.434134  0.421474  1
  Mg  Mg99  1  0.188881  0.094126  0.463384  1
  Mg  Mg100  1  0.719041  0.514382  0.440678  1
  Mg  Mg101  1  0.695343  0.184380  0.419733  1
  Mg  Mg102  1  0.742560  0.844424  0.461597  1
  Mg  Mg103  1  0.052374  0.181049  0.440678  1
  Mg  Mg104  1  0.028676  0.851047  0.419733  1
  Mg  Mg105  1  0.385708  0.847716  0.440678  1
  Mg  Mg106  1  0.075893  0.511091  0.461597  1
  Mg  Mg107  1  0.362009  0.517713  0.419733  1
  Mg  Mg108  1  0.409227  0.177757  0.461597  1
  Mg  Mg109  1  0.580972  0.585829  0.515838  1
  Mg  Mg110  1  0.557434  0.255807  0.494877  1
  Mg  Mg111  1  0.533855  0.925787  0.473953  1
  Mg  Mg112  1  0.914306  0.252496  0.515838  1
  Mg  Mg113  1  0.890768  0.922474  0.494877  1
  Mg  Mg114  1  0.247639  0.919162  0.515838  1
  Mg  Mg115  1  0.867188  0.592454  0.473953  1
  Mg  Mg116  1  0.224101  0.589140  0.494877  1
  Mg  Mg117  1  0.200522  0.259120  0.473953  1
  Mg  Mg118  1  0.705790  0.333905  0.528005  1
  Mg  Mg119  1  0.682201  0.003871  0.507053  1
  Mg  Mg120  1  0.658645  0.673865  0.486116  1
  Mg  Mg121  1  0.039123  1.000572  0.528005  1
  Mg  Mg122  1  0.015535  0.670538  0.507053  1
  Mg  Mg123  1  0.372457  0.667238  0.528005  1
  Mg  Mg124  1  0.991978  0.340532  0.486116  1
  Mg  Mg125  1  0.348868  0.337205  0.507053  1
  Mg  Mg126  1  0.325311  0.007198  0.486116  1
  Mg  Mg127  1  0.569433  0.420816  0.505326  1
  Mg  Mg128  1  0.545847  0.090809  0.484357  1
  Mg  Mg129  1  0.593026  0.750858  0.526294  1
  Mg  Mg130  1  0.902766  0.087482  0.505326  1
  Mg  Mg131  1  0.879181  0.757476  0.484357  1
  Mg  Mg132  1  0.236100  0.754149  0.505326  1
  Mg  Mg133  1  0.926359  0.417525  0.526294  1
  Mg  Mg134  1  0.212514  0.424142  0.484357  1
  Mg  Mg135  1  0.259693  0.084192  0.526294  1
  Mg  Mg136  1  0.789837  0.504430  0.503595  1
  Mg  Mg137  1  0.766271  0.174405  0.482618  1
  Mg  Mg138  1  0.813394  0.834465  0.524501  1
  Mg  Mg139  1  0.123170  0.171097  0.503595  1
  Mg  Mg140  1  0.099604  0.841072  0.482618  1
  Mg  Mg141  1  0.456504  0.837764  0.503595  1
  Mg  Mg142  1  0.146727  0.501132  0.524501  1
  Mg  Mg143  1  0.432938  0.507738  0.482618  1
  Mg  Mg144  1  0.480061  0.167799  0.524501  1
  Mg  Mg145  1  0.651742  0.575879  0.578764  1
  Mg  Mg146  1  0.628174  0.245843  0.557834  1
  Mg  Mg147  1  0.604628  0.915814  0.536882  1
  Mg  Mg148  1  0.985075  0.242545  0.578764  1
  Mg  Mg149  1  0.961508  0.912509  0.557834  1
  Mg  Mg150  1  0.318409  0.909212  0.578764  1
  Mg  Mg151  1  0.937961  0.582481  0.536882  1
  Mg  Mg152  1  0.294841  0.579176  0.557834  1
  Mg  Mg153  1  0.271295  0.249148  0.536882  1
  Mg  Mg154  1  0.776855  0.323944  0.590871  1
  Mg  Mg155  1  0.753045  0.993861  0.569909  1
  Mg  Mg156  1  0.729452  0.663930  0.549006  1
  Mg  Mg157  1  0.110188  0.990611  0.590871  1
  Mg  Mg158  1  0.086378  0.660528  0.569909  1
  Mg  Mg159  1  0.443522  0.657278  0.590871  1
  Mg  Mg160  1  0.062786  0.330597  0.549006  1
  Mg  Mg161  1  0.419711  0.327194  0.569909  1
  Mg  Mg162  1  0.396119  0.997264  0.549006  1
  Mg  Mg163  1  0.640339  0.410869  0.568247  1
  Mg  Mg164  1  0.616680  0.080859  0.547243  1
  Mg  Mg165  1  0.664140  0.740934  0.589222  1
  Mg  Mg166  1  0.973672  0.077536  0.568247  1
  Mg  Mg167  1  0.950014  0.747525  0.547243  1
  Mg  Mg168  1  0.307005  0.744202  0.568247  1
  Mg  Mg169  1  0.997473  0.407600  0.589222  1
  Mg  Mg170  1  0.283347  0.414192  0.547243  1
  Mg  Mg171  1  0.330807  0.074267  0.589222  1
  Mg  Mg172  1  0.860766  0.494490  0.566541  1
  Mg  Mg173  1  0.837112  0.164466  0.545532  1
  Mg  Mg174  1  0.884365  0.824518  0.587379  1
  Mg  Mg175  1  0.194100  0.161157  0.566541  1
  Mg  Mg176  1  0.170445  0.831132  0.545532  1
  Mg  Mg177  1  0.527433  0.827824  0.566541  1
  Mg  Mg178  1  0.217698  0.491184  0.587379  1
  Mg  Mg179  1  0.503779  0.497799  0.545532  1
  Mg  Mg180  1  0.551031  0.157851  0.587379  1
  Mg  Mg181  1  0.721657  0.565944  0.641416  1
  Mg  Mg182  1  0.699018  0.235864  0.620812  1
  Mg  Mg183  1  0.675474  0.905800  0.599944  1
  Mg  Mg184  1  0.054990  0.232610  0.641416  1
  Mg  Mg185  1  0.032351  0.902531  0.620812  1
  Mg  Mg186  1  0.388323  0.899277  0.641416  1
  Mg  Mg187  1  0.008808  0.572467  0.599944  1
  Mg  Mg188  1  0.365685  0.569198  0.620812  1
  Mg  Mg189  1  0.342141  0.239133  0.599944  1
  Mg  Mg190  1  0.848068  0.314134  0.653317  1
  Mg  Mg191  1  0.824480  0.983811  0.632568  1
  Mg  Mg192  1  0.800816  0.653969  0.611888  1
  Mg  Mg193  1  0.181401  0.980801  0.653317  1
  Mg  Mg194  1  0.157813  0.650477  0.632568  1
  Mg  Mg195  1  0.514734  0.647467  0.653317  1
  Mg  Mg196  1  0.134149  0.320636  0.611888  1
  Mg  Mg197  1  0.491146  0.317144  0.632568  1
  Mg  Mg198  1  0.467483  0.987303  0.611888  1
  Mg  Mg199  1  0.711720  0.400876  0.631070  1
  Mg  Mg200  1  0.688053  0.070762  0.610106  1
  Mg  Mg201  1  0.735119  0.731052  0.651785  1
  Mg  Mg202  1  0.045054  0.067543  0.631070  1
  Mg  Mg203  1  0.021386  0.737428  0.610106  1
  Mg  Mg204  1  0.378387  0.734210  0.631070  1
  Mg  Mg205  1  0.068452  0.397719  0.651785  1
  Mg  Mg206  1  0.354720  0.404095  0.610106  1
  Mg  Mg207  1  0.401785  0.064385  0.651785  1
  Mg  Mg208  1  0.931623  0.484574  0.629465  1
  Mg  Mg209  1  0.908224  0.154460  0.608479  1
  Mg  Mg210  1  0.955181  0.814324  0.649693  1
  Mg  Mg211  1  0.264957  0.151241  0.629465  1
  Mg  Mg212  1  0.241557  0.821126  0.608479  1
  Mg  Mg213  1  0.598290  0.817907  0.629465  1
  Mg  Mg214  1  0.288514  0.480991  0.649693  1
  Mg  Mg215  1  0.574891  0.487793  0.608479  1
  Mg  Mg216  1  0.621848  0.147657  0.649693  1
  Mg  Mg217  1  0.787656  0.556451  0.702223  1
  Mg  Mg218  1  0.768214  0.226144  0.682563  1
  Mg  Mg219  1  0.745661  0.895772  0.662335  1
  Mg  Mg220  1  0.120989  0.223118  0.702223  1
  Mg  Mg221  1  0.101548  0.892810  0.682563  1
  Mg  Mg222  1  0.454322  0.889784  0.702223  1
  Mg  Mg223  1  0.078995  0.562439  0.662335  1
  Mg  Mg224  1  0.434881  0.559477  0.682563  1
  Mg  Mg225  1  0.412328  0.229105  0.662335  1
  Mg  Mg226  1  0.919265  0.304773  0.713683  1
  Mg  Mg227  1  0.896243  0.975026  0.693511  1
  Mg  Mg228  1  0.870278  0.643962  0.673673  1
  Mg  Mg229  1  0.252598  0.971440  0.713683  1
  Mg  Mg230  1  0.229576  0.641693  0.693511  1
  Mg  Mg231  1  0.585932  0.638107  0.713683  1
  Mg  Mg232  1  0.203612  0.310629  0.673673  1
  Mg  Mg233  1  0.562910  0.308360  0.693511  1
  Mg  Mg234  1  0.536945  0.977295  0.673673  1
  Mg  Mg235  1  0.783616  0.391141  0.692451  1
  Mg  Mg236  1  0.758032  0.060914  0.671926  1
  Mg  Mg237  1  0.805293  0.720291  0.712367  1
  Mg  Mg238  1  0.116949  0.057808  0.692451  1
  Mg  Mg239  1  0.091366  0.727580  0.671926  1
  Mg  Mg240  1  0.450282  0.724475  0.692451  1
  Mg  Mg241  1  0.138627  0.386957  0.712367  1
  Mg  Mg242  1  0.424699  0.394247  0.671926  1
  Mg  Mg243  1  0.471960  0.053624  0.712367  1
  Mg  Mg244  1  0.003047  0.474309  0.690899  1
  Mg  Mg245  1  0.978790  0.144727  0.670508  1
  Mg  Mg246  1  0.023342  0.803366  0.710225  1
  Mg  Mg247  1  0.336381  0.140976  0.690899  1
  Mg  Mg248  1  0.312123  0.811394  0.670508  1
  Mg  Mg249  1  0.669714  0.807643  0.690899  1
  Mg  Mg250  1  0.356675  0.470032  0.710225  1
  Mg  Mg251  1  0.645456  0.478060  0.670508  1
  Mg  Mg252  1  0.690008  0.136699  0.710225  1
