# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.82104159
_cell_length_b   12.81496832
_cell_length_c   46.53318024
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg144
_cell_volume   7274.54682691
_cell_formula_units_Z   144
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  0.618856  0.950331  0.336687  1
  Mg  Mg2  1  0.071583  0.741859  0.285082  1
  Mg  Mg3  1  0.009259  0.996719  0.321100  1
  Mg  Mg4  1  0.374765  0.047713  0.303854  1
  Mg  Mg5  1  0.717742  0.709785  0.302645  1
  Mg  Mg6  1  0.028646  0.395786  0.291557  1
  Mg  Mg7  1  0.411915  0.405890  0.285085  1
  Mg  Mg8  1  0.326302  0.662032  0.311346  1
  Mg  Mg9  1  0.652858  0.345102  0.321085  1
  Mg  Mg10  1  0.880525  0.226490  0.293504  1
  Mg  Mg11  1  0.226273  0.897877  0.289715  1
  Mg  Mg12  1  0.132540  0.167635  0.321312  1
  Mg  Mg13  1  0.549660  0.169746  0.304167  1
  Mg  Mg14  1  0.838300  0.887759  0.303807  1
  Mg  Mg15  1  0.184828  0.515012  0.312335  1
  Mg  Mg16  1  0.564734  0.564343  0.290506  1
  Mg  Mg17  1  0.471662  0.805219  0.324964  1
  Mg  Mg18  1  0.816929  0.472813  0.326126  1
  Mg  Mg19  1  0.505420  0.838414  0.391087  1
  Mg  Mg20  1  0.951739  0.644237  0.334367  1
  Mg  Mg21  1  0.881381  0.883581  0.369839  1
  Mg  Mg22  1  0.250779  0.939642  0.353672  1
  Mg  Mg23  1  0.593298  0.588641  0.355409  1
  Mg  Mg24  1  0.918567  0.250081  0.357590  1
  Mg  Mg25  1  0.311150  0.284303  0.335046  1
  Mg  Mg26  1  0.208301  0.546976  0.375730  1
  Mg  Mg27  1  0.548020  0.220388  0.370170  1
  Mg  Mg28  1  0.770697  0.108129  0.342921  1
  Mg  Mg29  1  0.118651  0.772155  0.347811  1
  Mg  Mg30  1  0.030809  0.024913  0.385593  1
  Mg  Mg31  1  0.405417  0.069820  0.368874  1
  Mg  Mg32  1  0.735397  0.733820  0.367825  1
  Mg  Mg33  1  0.066199  0.403929  0.357468  1
  Mg  Mg34  1  0.431146  0.456315  0.347928  1
  Mg  Mg35  1  0.355942  0.700258  0.376664  1
  Mg  Mg36  1  0.693192  0.366684  0.384933  1
  Mg  Mg37  1  0.387429  0.722562  0.442525  1
  Mg  Mg38  1  0.850101  0.503227  0.390118  1
  Mg  Mg39  1  0.761386  0.769173  0.431477  1
  Mg  Mg40  1  0.141429  0.799394  0.412187  1
  Mg  Mg41  1  0.464987  0.479145  0.411106  1
  Mg  Mg42  1  0.799791  0.136043  0.408202  1
  Mg  Mg43  1  0.168833  0.183703  0.387484  1
  Mg  Mg44  1  0.092235  0.429846  0.423451  1
  Mg  Mg45  1  0.434197  0.097307  0.432657  1
  Mg  Mg46  1  0.654004  0.990155  0.399876  1
  Mg  Mg47  1  0.983023  0.664303  0.401205  1
  Mg  Mg48  1  0.909582  0.914043  0.436446  1
  Mg  Mg49  1  0.280256  0.958434  0.419405  1
  Mg  Mg50  1  0.624344  0.614717  0.420435  1
  Mg  Mg51  1  0.947839  0.279040  0.421634  1
  Mg  Mg52  1  0.327118  0.319904  0.401620  1
  Mg  Mg53  1  0.239770  0.572072  0.439971  1
  Mg  Mg54  1  0.577805  0.247783  0.436191  1
  Mg  Mg55  1  0.269142  0.600298  0.504615  1
  Mg  Mg56  1  0.724161  0.392974  0.450237  1
  Mg  Mg57  1  0.650716  0.643742  0.485981  1
  Mg  Mg58  1  0.014292  0.692186  0.466842  1
  Mg  Mg59  1  0.357149  0.347130  0.467574  1
  Mg  Mg60  1  0.680285  0.017220  0.465004  1
  Mg  Mg61  1  0.059717  0.055447  0.450480  1
  Mg  Mg62  1  0.974884  0.308852  0.486157  1
  Mg  Mg63  1  0.309174  0.986852  0.485056  1
  Mg  Mg64  1  0.532861  0.866777  0.456744  1
  Mg  Mg65  1  0.874540  0.537007  0.455203  1
  Mg  Mg66  1  0.790880  0.795958  0.496001  1
  Mg  Mg67  1  0.170984  0.828641  0.476558  1
  Mg  Mg68  1  0.495342  0.504109  0.475682  1
  Mg  Mg69  1  0.828538  0.161741  0.473749  1
  Mg  Mg70  1  0.199663  0.210060  0.453554  1
  Mg  Mg71  1  0.121210  0.457468  0.488427  1
  Mg  Mg72  1  0.462516  0.124792  0.497547  1
  Mg  Mg73  1  0.150259  0.484281  0.553084  1
  Mg  Mg74  1  0.607168  0.275044  0.502223  1
  Mg  Mg75  1  0.523280  0.533236  0.540403  1
  Mg  Mg76  1  0.903563  0.564792  0.520224  1
  Mg  Mg77  1  0.228853  0.238362  0.519044  1
  Mg  Mg78  1  0.562410  0.894191  0.522309  1
  Mg  Mg79  1  0.940547  0.940615  0.502588  1
  Mg  Mg80  1  0.856800  0.189940  0.539404  1
  Mg  Mg81  1  0.198721  0.857661  0.541384  1
  Mg  Mg82  1  0.414957  0.751355  0.507750  1
  Mg  Mg83  1  0.752645  0.421512  0.515654  1
  Mg  Mg84  1  0.680429  0.671337  0.551719  1
  Mg  Mg85  1  0.044605  0.718900  0.532491  1
  Mg  Mg86  1  0.386284  0.375864  0.533233  1
  Mg  Mg87  1  0.709718  0.044090  0.529578  1
  Mg  Mg88  1  0.087666  0.085395  0.515515  1
  Mg  Mg89  1  0.003655  0.336487  0.551045  1
  Mg  Mg90  1  0.338327  0.015097  0.550673  1
  Mg  Mg91  1  0.031827  0.364340  0.616172  1
  Mg  Mg92  1  0.492261  0.152859  0.562537  1
  Mg  Mg93  1  0.416169  0.403748  0.598999  1
  Mg  Mg94  1  0.783371  0.449043  0.581141  1
  Mg  Mg95  1  0.116408  0.114203  0.580746  1
  Mg  Mg96  1  0.443007  0.778901  0.572475  1
  Mg  Mg97  1  0.820506  0.823958  0.560758  1
  Mg  Mg98  1  0.737937  0.073309  0.593652  1
  Mg  Mg99  1  0.072765  0.748181  0.598162  1
  Mg  Mg100  1  0.296978  0.628256  0.569806  1
  Mg  Mg101  1  0.635818  0.305376  0.567891  1
  Mg  Mg102  1  0.553648  0.561313  0.605251  1
  Mg  Mg103  1  0.933723  0.592531  0.584943  1
  Mg  Mg104  1  0.257836  0.266799  0.584122  1
  Mg  Mg105  1  0.592336  0.921650  0.587882  1
  Mg  Mg106  1  0.969971  0.969288  0.568521  1
  Mg  Mg107  1  0.885728  0.217887  0.605373  1
  Mg  Mg108  1  0.227524  0.886064  0.606429  1
  Mg  Mg109  1  0.915704  0.242597  0.672683  1
  Mg  Mg110  1  0.367053  0.044853  0.616383  1
  Mg  Mg111  1  0.287806  0.295267  0.648275  1
  Mg  Mg112  1  0.664636  0.334733  0.633399  1
  Mg  Mg113  1  1.000137  0.998075  0.634332  1
  Mg  Mg114  1  0.327782  0.656609  0.635052  1
  Mg  Mg115  1  0.712966  0.697689  0.617677  1
  Mg  Mg116  1  0.619961  0.947563  0.654219  1
  Mg  Mg117  1  0.962311  0.622485  0.649063  1
  Mg  Mg118  1  0.178812  0.512519  0.617459  1
  Mg  Mg119  1  0.523062  0.179018  0.627839  1
  Mg  Mg120  1  0.445480  0.430300  0.664540  1
  Mg  Mg121  1  0.812278  0.474811  0.646988  1
  Mg  Mg122  1  0.145029  0.142394  0.645980  1
  Mg  Mg123  1  0.474807  0.808412  0.635897  1
  Mg  Mg124  1  0.847479  0.855252  0.625590  1
  Mg  Mg125  1  0.766733  0.102620  0.656918  1
  Mg  Mg126  1  0.102279  0.776527  0.663463  1
  Mg  Mg127  1  0.806617  0.135031  0.720194  1
  Mg  Mg128  1  0.266895  0.911260  0.670528  1
  Mg  Mg129  1  0.155208  0.178171  0.710858  1
  Mg  Mg130  1  0.559626  0.201414  0.691860  1
  Mg  Mg131  1  0.869918  0.889345  0.689169  1
  Mg  Mg132  1  0.207081  0.539187  0.680815  1
  Mg  Mg133  1  0.576566  0.598401  0.669757  1
  Mg  Mg134  1  0.500829  0.833336  0.701314  1
  Mg  Mg135  1  0.852747  0.484343  0.712063  1
  Mg  Mg136  1  0.064889  0.395819  0.679590  1
  Mg  Mg137  1  0.390920  0.080271  0.682336  1
  Mg  Mg138  1  0.319495  0.324165  0.712728  1
  Mg  Mg139  1  0.677139  0.373885  0.698354  1
  Mg  Mg140  1  0.043753  0.001790  0.699577  1
  Mg  Mg141  1  0.345490  0.678891  0.701280  1
  Mg  Mg142  1  0.747910  0.718446  0.683753  1
  Mg  Mg143  1  0.649182  0.975250  0.718912  1
  Mg  Mg144  1  0.993896  0.655410  0.713229  1
