# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48197159
_cell_length_b   31.23672330
_cell_length_c   46.30441401
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.05989928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg156
_cell_volume   7898.21420153
_cell_formula_units_Z   156
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  0.986440  0.983587  0.278173  1
  Mg  Mg2  1  0.140812  0.313076  0.287637  1
  Mg  Mg3  1  0.305487  0.645289  0.298994  1
  Mg  Mg4  1  0.452347  0.229831  0.284957  1
  Mg  Mg5  1  0.617495  0.562252  0.296318  1
  Mg  Mg6  1  0.781813  0.894173  0.307125  1
  Mg  Mg7  1  0.059655  0.146188  0.282105  1
  Mg  Mg8  1  0.222945  0.479157  0.293331  1
  Mg  Mg9  1  0.387371  0.811083  0.304586  1
  Mg  Mg10  1  0.663184  0.064099  0.279723  1
  Mg  Mg11  1  0.828451  0.396053  0.290648  1
  Mg  Mg12  1  0.992722  0.728142  0.301961  1
  Mg  Mg13  1  0.477053  0.977026  0.311017  1
  Mg  Mg14  1  0.639262  0.310296  0.322685  1
  Mg  Mg15  1  0.804052  0.642631  0.334094  1
  Mg  Mg16  1  0.947097  0.227247  0.319737  1
  Mg  Mg17  1  0.111466  0.559598  0.331153  1
  Mg  Mg18  1  0.274490  0.892454  0.341765  1
  Mg  Mg19  1  0.558115  0.144517  0.317234  1
  Mg  Mg20  1  0.721593  0.476526  0.328377  1
  Mg  Mg21  1  0.886329  0.808717  0.339670  1
  Mg  Mg22  1  0.170757  0.061590  0.314897  1
  Mg  Mg23  1  0.331841  0.393442  0.325483  1
  Mg  Mg24  1  0.496480  0.725667  0.336861  1
  Mg  Mg25  1  0.971607  0.975530  0.345607  1
  Mg  Mg26  1  0.137789  0.307800  0.356457  1
  Mg  Mg27  1  0.302749  0.640122  0.367836  1
  Mg  Mg28  1  0.438851  0.224802  0.353658  1
  Mg  Mg29  1  0.603740  0.557044  0.364965  1
  Mg  Mg30  1  0.768704  0.889577  0.376008  1
  Mg  Mg31  1  0.055541  0.141751  0.350970  1
  Mg  Mg32  1  0.220258  0.473971  0.362144  1
  Mg  Mg33  1  0.385118  0.806575  0.373364  1
  Mg  Mg34  1  0.671938  0.058304  0.347909  1
  Mg  Mg35  1  0.836771  0.390880  0.359273  1
  Mg  Mg36  1  1.001861  0.723258  0.370630  1
  Mg  Mg37  1  0.470344  0.972654  0.379353  1
  Mg  Mg38  1  0.636405  0.305219  0.391122  1
  Mg  Mg39  1  0.801443  0.637597  0.402466  1
  Mg  Mg40  1  0.934049  0.222142  0.388256  1
  Mg  Mg41  1  0.099211  0.554468  0.399588  1
  Mg  Mg42  1  0.264937  0.886959  0.410794  1
  Mg  Mg43  1  0.553953  0.138905  0.385476  1
  Mg  Mg44  1  0.718935  0.471354  0.396785  1
  Mg  Mg45  1  0.884201  0.803869  0.408093  1
  Mg  Mg46  1  0.173519  0.055768  0.382646  1
  Mg  Mg47  1  0.338556  0.388274  0.393909  1
  Mg  Mg48  1  0.503700  0.720783  0.405228  1
  Mg  Mg49  1  0.968664  0.969958  0.414105  1
  Mg  Mg50  1  0.135019  0.302571  0.425558  1
  Mg  Mg51  1  0.300236  0.635037  0.436887  1
  Mg  Mg52  1  0.430898  0.219437  0.422701  1
  Mg  Mg53  1  0.596177  0.551893  0.434042  1
  Mg  Mg54  1  0.762237  0.884328  0.445381  1
  Mg  Mg55  1  0.052229  0.136314  0.419905  1
  Mg  Mg56  1  0.217621  0.468774  0.431225  1
  Mg  Mg57  1  0.383091  0.801275  0.442545  1
  Mg  Mg58  1  0.673416  0.053115  0.416954  1
  Mg  Mg59  1  0.839014  0.385674  0.428379  1
  Mg  Mg60  1  1.004259  0.718162  0.439696  1
  Mg  Mg61  1  0.467271  0.967409  0.448551  1
  Mg  Mg62  1  0.633589  0.299925  0.460181  1
  Mg  Mg63  1  0.798942  0.632419  0.471512  1
  Mg  Mg64  1  0.928685  0.216807  0.457328  1
  Mg  Mg65  1  0.094119  0.549294  0.468670  1
  Mg  Mg66  1  0.260437  0.881744  0.480073  1
  Mg  Mg67  1  0.550730  0.133650  0.454495  1
  Mg  Mg68  1  0.716282  0.466165  0.465851  1
  Mg  Mg69  1  0.882000  0.798653  0.477204  1
  Mg  Mg70  1  0.172582  0.050521  0.451624  1
  Mg  Mg71  1  0.338425  0.383047  0.463009  1
  Mg  Mg72  1  0.503818  0.715556  0.474334  1
  Mg  Mg73  1  0.965818  0.964795  0.483212  1
  Mg  Mg74  1  0.132214  0.297298  0.494733  1
  Mg  Mg75  1  0.297673  0.629810  0.506065  1
  Mg  Mg76  1  0.427033  0.214167  0.491887  1
  Mg  Mg77  1  0.592516  0.546674  0.503229  1
  Mg  Mg78  1  0.759062  0.879158  0.514642  1
  Mg  Mg79  1  0.049243  0.131044  0.489047  1
  Mg  Mg80  1  0.214923  0.463550  0.500403  1
  Mg  Mg81  1  0.380813  0.796065  0.511783  1
  Mg  Mg82  1  0.671318  0.047901  0.486153  1
  Mg  Mg83  1  0.837323  0.380422  0.497571  1
  Mg  Mg84  1  1.002876  0.712932  0.508895  1
  Mg  Mg85  1  0.464472  0.962222  0.517770  1
  Mg  Mg86  1  0.630835  0.294676  0.529284  1
  Mg  Mg87  1  0.796319  0.627184  0.540604  1
  Mg  Mg88  1  0.925918  0.211552  0.526453  1
  Mg  Mg89  1  0.091442  0.544061  0.537795  1
  Mg  Mg90  1  0.258162  0.876562  0.549312  1
  Mg  Mg91  1  0.547861  0.128417  0.523592  1
  Mg  Mg92  1  0.713579  0.460928  0.534953  1
  Mg  Mg93  1  0.879629  0.793436  0.546331  1
  Mg  Mg94  1  0.169621  0.045310  0.520730  1
  Mg  Mg95  1  0.335701  0.377802  0.532135  1
  Mg  Mg96  1  0.501336  0.710335  0.543474  1
  Mg  Mg97  1  0.963189  0.959626  0.552443  1
  Mg  Mg98  1  0.129496  0.292062  0.563910  1
  Mg  Mg99  1  0.295037  0.624569  0.575236  1
  Mg  Mg100  1  0.425325  0.208923  0.561083  1
  Mg  Mg101  1  0.590808  0.541412  0.572413  1
  Mg  Mg102  1  0.757893  0.873972  0.583749  1
  Mg  Mg103  1  0.046482  0.125803  0.558222  1
  Mg  Mg104  1  0.212204  0.458297  0.569577  1
  Mg  Mg105  1  0.378263  0.790868  0.581004  1
  Mg  Mg106  1  0.667451  0.042686  0.555382  1
  Mg  Mg107  1  0.833576  0.375181  0.566763  1
  Mg  Mg108  1  0.999293  0.707667  0.578070  1
  Mg  Mg109  1  0.462058  0.957024  0.587009  1
  Mg  Mg110  1  0.628159  0.289482  0.598343  1
  Mg  Mg111  1  0.793508  0.621915  0.609630  1
  Mg  Mg112  1  0.925703  0.206346  0.595538  1
  Mg  Mg113  1  0.091187  0.538788  0.606872  1
  Mg  Mg114  1  0.258450  0.871386  0.618498  1
  Mg  Mg115  1  0.545183  0.123175  0.592663  1
  Mg  Mg116  1  0.710860  0.455682  0.604016  1
  Mg  Mg117  1  0.877091  0.788128  0.615373  1
  Mg  Mg118  1  0.164356  0.040077  0.589838  1
  Mg  Mg119  1  0.330468  0.372586  0.601227  1
  Mg  Mg120  1  0.496063  0.705163  0.612568  1
  Mg  Mg121  1  0.961147  0.954330  0.621757  1
  Mg  Mg122  1  0.126818  0.286878  0.632981  1
  Mg  Mg123  1  0.292280  0.619207  0.644258  1
  Mg  Mg124  1  0.427586  0.203771  0.630150  1
  Mg  Mg125  1  0.593049  0.536139  0.641489  1
  Mg  Mg126  1  0.760694  0.868380  0.652203  1
  Mg  Mg127  1  0.043876  0.120638  0.627286  1
  Mg  Mg128  1  0.209507  0.453083  0.638663  1
  Mg  Mg129  1  0.374980  0.785895  0.650113  1
  Mg  Mg130  1  0.659851  0.037407  0.624567  1
  Mg  Mg131  1  0.825979  0.369983  0.635853  1
  Mg  Mg132  1  0.991726  0.702264  0.647077  1
  Mg  Mg133  1  0.461742  0.951447  0.656001  1
  Mg  Mg134  1  0.625540  0.284324  0.666733  1
  Mg  Mg135  1  0.790812  0.616681  0.677989  1
  Mg  Mg136  1  0.932832  0.201240  0.663960  1
  Mg  Mg137  1  0.098136  0.533644  0.675327  1
  Mg  Mg138  1  0.260927  0.866711  0.686806  1
  Mg  Mg139  1  0.542897  0.118228  0.661032  1
  Mg  Mg140  1  0.708256  0.450547  0.672437  1
  Mg  Mg141  1  0.874521  0.782556  0.683450  1
  Mg  Mg142  1  0.152949  0.035096  0.658259  1
  Mg  Mg143  1  0.318368  0.367422  0.669651  1
  Mg  Mg144  1  0.483475  0.699825  0.680814  1
  Mg  Mg145  1  0.959698  0.950132  0.690669  1
  Mg  Mg146  1  0.124215  0.281684  0.701796  1
  Mg  Mg147  1  0.289635  0.614291  0.713090  1
  Mg  Mg148  1  0.436205  0.198644  0.698800  1
  Mg  Mg149  1  0.601226  0.531086  0.710134  1
  Mg  Mg150  1  0.755858  0.861487  0.719423  1
  Mg  Mg151  1  0.041750  0.115536  0.696106  1
  Mg  Mg152  1  0.206941  0.447874  0.707462  1
  Mg  Mg153  1  0.369252  0.779219  0.718455  1
  Mg  Mg154  1  0.646200  0.032707  0.693283  1
  Mg  Mg155  1  0.812392  0.364767  0.704472  1
  Mg  Mg156  1  0.975063  0.697003  0.715776  1
