# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41726788
_cell_length_b   31.34191086
_cell_length_c   46.90533279
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.10231787
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg252
_cell_volume   12371.9586922
_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  0.336436  0.621499  0.310789  1
  Mg  Mg2  1  0.309207  0.291139  0.289311  1
  Mg  Mg3  1  0.283711  0.961519  0.269675  1
  Mg  Mg4  1  0.666035  0.287715  0.311668  1
  Mg  Mg5  1  0.642241  0.957763  0.289318  1
  Mg  Mg6  1  0.999070  0.954344  0.311669  1
  Mg  Mg7  1  0.690265  0.618237  0.333269  1
  Mg  Mg8  1  0.978137  0.624234  0.290136  1
  Mg  Mg9  1  0.950660  0.294902  0.269655  1
  Mg  Mg10  1  0.456145  0.369185  0.324467  1
  Mg  Mg11  1  0.433819  0.039614  0.302084  1
  Mg  Mg12  1  0.410022  0.710594  0.282240  1
  Mg  Mg13  1  0.789310  0.035812  0.324437  1
  Mg  Mg14  1  0.765177  0.705607  0.301824  1
  Mg  Mg15  1  0.122101  0.702467  0.324459  1
  Mg  Mg16  1  0.744115  0.375911  0.281275  1
  Mg  Mg17  1  0.100835  0.372922  0.302104  1
  Mg  Mg18  1  0.077580  0.042625  0.281280  1
  Mg  Mg19  1  0.323750  0.456187  0.299832  1
  Mg  Mg20  1  0.296227  0.126847  0.279528  1
  Mg  Mg21  1  0.344332  0.786602  0.323005  1
  Mg  Mg22  1  0.656560  0.122760  0.299801  1
  Mg  Mg23  1  0.628926  0.793595  0.279665  1
  Mg  Mg24  1  0.989096  0.789056  0.299816  1
  Mg  Mg25  1  0.678381  0.453014  0.322670  1
  Mg  Mg26  1  0.962745  0.459884  0.279564  1
  Mg  Mg27  1  0.011925  0.119602  0.322708  1
  Mg  Mg28  1  0.545866  0.539847  0.298132  1
  Mg  Mg29  1  0.518902  0.209923  0.277638  1
  Mg  Mg30  1  0.566703  0.870495  0.320630  1
  Mg  Mg31  1  0.879911  0.206203  0.297821  1
  Mg  Mg32  1  0.851913  0.876463  0.277694  1
  Mg  Mg33  1  0.212653  0.872796  0.297851  1
  Mg  Mg34  1  0.900414  0.536718  0.320900  1
  Mg  Mg35  1  0.183255  0.542812  0.277997  1
  Mg  Mg36  1  0.233753  0.203806  0.320553  1
  Mg  Mg37  1  0.404998  0.611413  0.377999  1
  Mg  Mg38  1  0.381112  0.281255  0.355949  1
  Mg  Mg39  1  0.356905  0.951494  0.334180  1
  Mg  Mg40  1  0.737659  0.277962  0.378328  1
  Mg  Mg41  1  0.714256  0.947896  0.355958  1
  Mg  Mg42  1  0.070673  0.944606  0.378340  1
  Mg  Mg43  1  0.761966  0.608032  0.400282  1
  Mg  Mg44  1  0.049073  0.614550  0.355809  1
  Mg  Mg45  1  0.023849  0.284829  0.334177  1
  Mg  Mg46  1  0.528182  0.359406  0.391328  1
  Mg  Mg47  1  0.504400  0.029422  0.369069  1
  Mg  Mg48  1  0.480437  0.699605  0.347140  1
  Mg  Mg49  1  0.861275  0.026032  0.391321  1
  Mg  Mg50  1  0.837424  0.695894  0.368843  1
  Mg  Mg51  1  0.194305  0.692724  0.391338  1
  Mg  Mg52  1  0.814615  0.366060  0.346798  1
  Mg  Mg53  1  0.171326  0.362753  0.369095  1
  Mg  Mg54  1  0.147712  0.032673  0.346810  1
  Mg  Mg55  1  0.393071  0.446349  0.366946  1
  Mg  Mg56  1  0.369866  0.116419  0.344757  1
  Mg  Mg57  1  0.416283  0.776459  0.389499  1
  Mg  Mg58  1  0.726156  0.112913  0.366952  1
  Mg  Mg59  1  0.702905  0.782857  0.344679  1
  Mg  Mg60  1  0.058966  0.779525  0.367023  1
  Mg  Mg61  1  0.750194  0.443075  0.389316  1
  Mg  Mg62  1  0.037144  0.449723  0.344782  1
  Mg  Mg63  1  0.083275  0.109682  0.389365  1
  Mg  Mg64  1  0.614721  0.530100  0.364962  1
  Mg  Mg65  1  0.592128  0.199652  0.342764  1
  Mg  Mg66  1  0.638178  0.859912  0.387305  1
  Mg  Mg67  1  0.947881  0.196650  0.364999  1
  Mg  Mg68  1  0.925170  0.866185  0.342778  1
  Mg  Mg69  1  0.280757  0.863433  0.365116  1
  Mg  Mg70  1  0.972169  0.526635  0.387345  1
  Mg  Mg71  1  0.259342  0.533252  0.342729  1
  Mg  Mg72  1  0.304996  0.193313  0.387303  1
  Mg  Mg73  1  0.475740  0.601374  0.445007  1
  Mg  Mg74  1  0.451843  0.271357  0.422868  1
  Mg  Mg75  1  0.428295  0.941336  0.400670  1
  Mg  Mg76  1  0.808730  0.268011  0.445182  1
  Mg  Mg77  1  0.784982  0.937990  0.422878  1
  Mg  Mg78  1  0.141937  0.934679  0.445188  1
  Mg  Mg79  1  0.832524  0.598056  0.467306  1
  Mg  Mg80  1  0.118878  0.604702  0.422733  1
  Mg  Mg81  1  0.095048  0.274655  0.400658  1
  Mg  Mg82  1  0.598855  0.349409  0.458305  1
  Mg  Mg83  1  0.575209  0.019406  0.436001  1
  Mg  Mg84  1  0.551655  0.689358  0.413708  1
  Mg  Mg85  1  0.932079  0.016059  0.458289  1
  Mg  Mg86  1  0.908476  0.686033  0.435891  1
  Mg  Mg87  1  0.265485  0.682736  0.458250  1
  Mg  Mg88  1  0.885073  0.356055  0.413688  1
  Mg  Mg89  1  0.242041  0.352738  0.436014  1
  Mg  Mg90  1  0.218236  0.022698  0.413689  1
  Mg  Mg91  1  0.463897  0.436378  0.433920  1
  Mg  Mg92  1  0.440090  0.106348  0.411655  1
  Mg  Mg93  1  0.487206  0.766367  0.456311  1
  Mg  Mg94  1  0.797003  0.103009  0.433935  1
  Mg  Mg95  1  0.773239  0.772922  0.411606  1
  Mg  Mg96  1  0.130147  0.769686  0.433982  1
  Mg  Mg97  1  0.820691  0.433049  0.456249  1
  Mg  Mg98  1  0.107064  0.439684  0.411667  1
  Mg  Mg99  1  0.153891  0.099700  0.456279  1
  Mg  Mg100  1  0.685715  0.520028  0.431871  1
  Mg  Mg101  1  0.661865  0.189927  0.409652  1
  Mg  Mg102  1  0.708847  0.849973  0.454257  1
  Mg  Mg103  1  0.018763  0.186647  0.431952  1
  Mg  Mg104  1  0.994954  0.856569  0.409699  1
  Mg  Mg105  1  0.351964  0.853352  0.432018  1
  Mg  Mg106  1  0.042573  0.516679  0.454220  1
  Mg  Mg107  1  0.328887  0.523340  0.409587  1
  Mg  Mg108  1  0.375608  0.183344  0.454251  1
  Mg  Mg109  1  0.546359  0.591405  0.511962  1
  Mg  Mg110  1  0.522518  0.261383  0.489790  1
  Mg  Mg111  1  0.498943  0.931372  0.467518  1
  Mg  Mg112  1  0.879353  0.258052  0.512094  1
  Mg  Mg113  1  0.855801  0.928037  0.489791  1
  Mg  Mg114  1  0.212718  0.924731  0.512098  1
  Mg  Mg115  1  0.903188  0.588077  0.534228  1
  Mg  Mg116  1  0.189483  0.594724  0.489657  1
  Mg  Mg117  1  0.165664  0.264700  0.467509  1
  Mg  Mg118  1  0.669403  0.339427  0.525253  1
  Mg  Mg119  1  0.645897  0.009413  0.502923  1
  Mg  Mg120  1  0.622483  0.679411  0.480581  1
  Mg  Mg121  1  1.002778  0.006087  0.525222  1
  Mg  Mg122  1  0.979379  0.676088  0.502836  1
  Mg  Mg123  1  0.336362  0.672777  0.525159  1
  Mg  Mg124  1  0.955698  0.346081  0.480619  1
  Mg  Mg125  1  0.312600  0.342747  0.502949  1
  Mg  Mg126  1  0.288983  0.012753  0.480616  1
  Mg  Mg127  1  0.534412  0.426390  0.500881  1
  Mg  Mg128  1  0.510779  0.096384  0.478575  1
  Mg  Mg129  1  0.558045  0.756416  0.523212  1
  Mg  Mg130  1  0.867681  0.093049  0.500874  1
  Mg  Mg131  1  0.844108  0.763032  0.478548  1
  Mg  Mg132  1  0.201074  0.759723  0.500881  1
  Mg  Mg133  1  0.891226  0.423068  0.523179  1
  Mg  Mg134  1  0.177602  0.429714  0.478580  1
  Mg  Mg135  1  0.224561  0.089755  0.523208  1
  Mg  Mg136  1  0.756234  0.510033  0.498805  1
  Mg  Mg137  1  0.732535  0.180000  0.476567  1
  Mg  Mg138  1  0.779691  0.840035  0.521178  1
  Mg  Mg139  1  0.089427  0.176694  0.498891  1
  Mg  Mg140  1  0.065803  0.846670  0.476601  1
  Mg  Mg141  1  0.422785  0.843358  0.498919  1
  Mg  Mg142  1  0.113148  0.506700  0.521139  1
  Mg  Mg143  1  0.399436  0.513354  0.476504  1
  Mg  Mg144  1  0.446322  0.173376  0.521173  1
  Mg  Mg145  1  0.617124  0.581456  0.578876  1
  Mg  Mg146  1  0.593068  0.251407  0.556745  1
  Mg  Mg147  1  0.569653  0.921389  0.534435  1
  Mg  Mg148  1  0.949912  0.248080  0.579017  1
  Mg  Mg149  1  0.926510  0.918072  0.556746  1
  Mg  Mg150  1  0.283416  0.914775  0.579015  1
  Mg  Mg151  1  0.973817  0.578128  0.601076  1
  Mg  Mg152  1  0.260192  0.584769  0.556567  1
  Mg  Mg153  1  0.236285  0.254729  0.534437  1
  Mg  Mg154  1  0.739935  0.329451  0.592171  1
  Mg  Mg155  1  0.716559  0.999387  0.569823  1
  Mg  Mg156  1  0.693304  0.669475  0.547503  1
  Mg  Mg157  1  0.073488  0.996141  0.592128  1
  Mg  Mg158  1  0.050184  0.666102  0.569739  1
  Mg  Mg159  1  0.407197  0.662887  0.592061  1
  Mg  Mg160  1  0.026254  0.336103  0.547537  1
  Mg  Mg161  1  0.383105  0.332761  0.569884  1
  Mg  Mg162  1  0.359662  0.002807  0.547534  1
  Mg  Mg163  1  0.604929  0.416410  0.567839  1
  Mg  Mg164  1  0.581484  0.086404  0.545483  1
  Mg  Mg165  1  0.628917  0.746540  0.590156  1
  Mg  Mg166  1  0.938447  0.083067  0.567795  1
  Mg  Mg167  1  0.914945  0.753084  0.545451  1
  Mg  Mg168  1  0.272003  0.749768  0.567780  1
  Mg  Mg169  1  0.961764  0.413112  0.590093  1
  Mg  Mg170  1  0.248132  0.419736  0.545511  1
  Mg  Mg171  1  0.295279  0.079870  0.590143  1
  Mg  Mg172  1  0.826815  0.500047  0.565738  1
  Mg  Mg173  1  0.803281  0.170036  0.543492  1
  Mg  Mg174  1  0.850543  0.830106  0.588054  1
  Mg  Mg175  1  0.160226  0.166754  0.565847  1
  Mg  Mg176  1  0.136705  0.836719  0.543511  1
  Mg  Mg177  1  0.493709  0.833420  0.565865  1
  Mg  Mg178  1  0.183803  0.496741  0.588071  1
  Mg  Mg179  1  0.470006  0.503379  0.543453  1
  Mg  Mg180  1  0.517070  0.163416  0.588052  1
  Mg  Mg181  1  0.687820  0.571579  0.645788  1
  Mg  Mg182  1  0.663771  0.241375  0.623749  1
  Mg  Mg183  1  0.640239  0.911416  0.601461  1
  Mg  Mg184  1  0.019705  0.238262  0.645932  1
  Mg  Mg185  1  0.997394  0.908063  0.623747  1
  Mg  Mg186  1  0.353203  0.904954  0.645933  1
  Mg  Mg187  1  0.045150  0.567990  0.667562  1
  Mg  Mg188  1  0.331411  0.574846  0.623412  1
  Mg  Mg189  1  0.306836  0.244766  0.601462  1
  Mg  Mg190  1  0.809481  0.319574  0.659022  1
  Mg  Mg191  1  0.787853  0.989265  0.636684  1
  Mg  Mg192  1  0.763974  0.659557  0.614452  1
  Mg  Mg193  1  0.143104  0.986371  0.659005  1
  Mg  Mg194  1  0.121386  0.656044  0.636642  1
  Mg  Mg195  1  0.476975  0.653301  0.658975  1
  Mg  Mg196  1  0.096656  0.326170  0.614411  1
  Mg  Mg197  1  0.454098  0.322713  0.636794  1
  Mg  Mg198  1  0.430129  0.992903  0.614411  1
  Mg  Mg199  1  0.675760  0.406467  0.634815  1
  Mg  Mg200  1  0.652299  0.076288  0.612313  1
  Mg  Mg201  1  0.699264  0.736631  0.657082  1
  Mg  Mg202  1  0.009623  0.073189  0.634746  1
  Mg  Mg203  1  0.985878  0.743012  0.612263  1
  Mg  Mg204  1  0.343190  0.739956  0.634740  1
  Mg  Mg205  1  0.031703  0.403106  0.656979  1
  Mg  Mg206  1  0.318638  0.409730  0.612445  1
  Mg  Mg207  1  0.365349  0.070000  0.657058  1
  Mg  Mg208  1  0.897536  0.490057  0.632665  1
  Mg  Mg209  1  0.874371  0.160040  0.610410  1
  Mg  Mg210  1  0.921769  0.819889  0.654615  1
  Mg  Mg211  1  0.231206  0.156921  0.632892  1
  Mg  Mg212  1  0.207915  0.826748  0.610420  1
  Mg  Mg213  1  0.564762  0.823587  0.632919  1
  Mg  Mg214  1  0.254283  0.486768  0.654958  1
  Mg  Mg215  1  0.540713  0.493398  0.610428  1
  Mg  Mg216  1  0.588242  0.153176  0.654625  1
  Mg  Mg217  1  0.759698  0.561732  0.712429  1
  Mg  Mg218  1  0.732334  0.231362  0.690936  1
  Mg  Mg219  1  0.712084  0.901255  0.668492  1
  Mg  Mg220  1  0.090504  0.228601  0.711609  1
  Mg  Mg221  1  0.065928  0.898053  0.690948  1
  Mg  Mg222  1  0.424096  0.895305  0.711608  1
  Mg  Mg223  1  0.118268  0.558002  0.732071  1
  Mg  Mg224  1  0.402971  0.565168  0.690068  1
  Mg  Mg225  1  0.378484  0.234584  0.668474  1
  Mg  Mg226  1  0.885531  0.310030  0.723757  1
  Mg  Mg227  1  0.856858  0.979749  0.703583  1
  Mg  Mg228  1  0.835417  0.648994  0.681128  1
  Mg  Mg229  1  0.219142  0.976817  0.723702  1
  Mg  Mg230  1  0.189467  0.646705  0.703899  1
  Mg  Mg231  1  0.550189  0.643039  0.724061  1
  Mg  Mg232  1  0.168381  0.316109  0.680856  1
  Mg  Mg233  1  0.522931  0.312983  0.703620  1
  Mg  Mg234  1  0.502074  0.982754  0.680782  1
  Mg  Mg235  1  0.745101  0.396652  0.701925  1
  Mg  Mg236  1  0.724721  0.066171  0.678804  1
  Mg  Mg237  1  0.773235  0.725910  0.722092  1
  Mg  Mg238  1  0.079266  0.063696  0.701912  1
  Mg  Mg239  1  0.057823  0.732898  0.678757  1
  Mg  Mg240  1  0.413063  0.730445  0.701941  1
  Mg  Mg241  1  0.106100  0.392962  0.722193  1
  Mg  Mg242  1  0.390462  0.399819  0.679092  1
  Mg  Mg243  1  0.440077  0.059547  0.722057  1
  Mg  Mg244  1  0.968018  0.479927  0.699657  1
  Mg  Mg245  1  0.946634  0.150345  0.677268  1
  Mg  Mg246  1  0.992094  0.808944  0.719505  1
  Mg  Mg247  1  0.303380  0.147272  0.699920  1
  Mg  Mg248  1  0.280069  0.817044  0.677301  1
  Mg  Mg249  1  0.636942  0.813893  0.699933  1
  Mg  Mg250  1  0.324710  0.476965  0.720472  1
  Mg  Mg251  1  0.612713  0.483659  0.677291  1
  Mg  Mg252  1  0.658939  0.142358  0.719513  1
