# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40964461
_cell_length_b   15.82976546
_cell_length_c   48.80868182
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.17226213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg126
_cell_volume   6492.87435488
_cell_formula_units_Z   126
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  0.481301  0.210474  0.337218  1
  Mg  Mg2  1  0.458357  0.889156  0.317007  1
  Mg  Mg3  1  0.437145  0.569095  0.297192  1
  Mg  Mg4  1  0.814635  0.877141  0.337218  1
  Mg  Mg5  1  0.791690  0.555823  0.317007  1
  Mg  Mg6  1  0.147968  0.543807  0.337218  1
  Mg  Mg7  1  0.770478  0.235761  0.297192  1
  Mg  Mg8  1  0.125024  0.222490  0.317007  1
  Mg  Mg9  1  0.103811  0.902428  0.297192  1
  Mg  Mg10  1  0.563448  0.391365  0.313549  1
  Mg  Mg11  1  0.544361  0.072629  0.294118  1
  Mg  Mg12  1  0.587590  0.711311  0.333881  1
  Mg  Mg13  1  0.896781  0.058032  0.313549  1
  Mg  Mg14  1  0.877695  0.739296  0.294118  1
  Mg  Mg15  1  0.230114  0.724699  0.313549  1
  Mg  Mg16  1  0.920923  0.377977  0.333881  1
  Mg  Mg17  1  0.211028  0.405962  0.294118  1
  Mg  Mg18  1  0.254256  0.044644  0.333881  1
  Mg  Mg19  1  0.548522  0.171178  0.399298  1
  Mg  Mg20  1  0.525924  0.850647  0.378409  1
  Mg  Mg21  1  0.503196  0.529723  0.357706  1
  Mg  Mg22  1  0.881855  0.837845  0.399298  1
  Mg  Mg23  1  0.859257  0.517314  0.378409  1
  Mg  Mg24  1  0.215189  0.504511  0.399298  1
  Mg  Mg25  1  0.836530  0.196390  0.357706  1
  Mg  Mg26  1  0.192590  0.183980  0.378409  1
  Mg  Mg27  1  0.169863  0.863056  0.357706  1
  Mg  Mg28  1  0.633117  0.352807  0.374966  1
  Mg  Mg29  1  0.609702  0.032678  0.354614  1
  Mg  Mg30  1  0.655431  0.673011  0.395833  1
  Mg  Mg31  1  0.966450  0.019474  0.374966  1
  Mg  Mg32  1  0.943035  0.699344  0.354614  1
  Mg  Mg33  1  0.299784  0.686140  0.374966  1
  Mg  Mg34  1  0.988764  0.339678  0.395833  1
  Mg  Mg35  1  0.276368  0.366011  0.354614  1
  Mg  Mg36  1  0.322098  0.006344  0.395833  1
  Mg  Mg37  1  0.617552  0.132104  0.462228  1
  Mg  Mg38  1  0.594711  0.811609  0.441250  1
  Mg  Mg39  1  0.571787  0.491250  0.420313  1
  Mg  Mg40  1  0.950885  0.798771  0.462228  1
  Mg  Mg41  1  0.928045  0.478276  0.441250  1
  Mg  Mg42  1  0.284218  0.465437  0.462228  1
  Mg  Mg43  1  0.905121  0.157916  0.420313  1
  Mg  Mg44  1  0.261378  0.144942  0.441250  1
  Mg  Mg45  1  0.238454  0.824583  0.420313  1
  Mg  Mg46  1  0.701605  0.313778  0.437807  1
  Mg  Mg47  1  0.678640  0.993458  0.416926  1
  Mg  Mg48  1  0.724585  0.634182  0.458771  1
  Mg  Mg49  1  0.034939  0.980445  0.437807  1
  Mg  Mg50  1  0.011973  0.660124  0.416926  1
  Mg  Mg51  1  0.368272  0.647111  0.437807  1
  Mg  Mg52  1  0.057918  0.300848  0.458771  1
  Mg  Mg53  1  0.345307  0.326791  0.416926  1
  Mg  Mg54  1  0.391252  0.967515  0.458771  1
  Mg  Mg55  1  0.686258  0.093419  0.525118  1
  Mg  Mg56  1  0.663361  0.772939  0.504178  1
  Mg  Mg57  1  0.640499  0.452495  0.483222  1
  Mg  Mg58  1  0.019591  0.760086  0.525118  1
  Mg  Mg59  1  0.996694  0.439606  0.504178  1
  Mg  Mg60  1  0.352924  0.426752  0.525118  1
  Mg  Mg61  1  0.973832  0.119162  0.483222  1
  Mg  Mg62  1  0.330027  0.106273  0.504178  1
  Mg  Mg63  1  0.307166  0.785829  0.483222  1
  Mg  Mg64  1  0.770424  0.275085  0.500726  1
  Mg  Mg65  1  0.747527  0.954606  0.479785  1
  Mg  Mg66  1  0.793286  0.595530  0.521682  1
  Mg  Mg67  1  0.103757  0.941752  0.500726  1
  Mg  Mg68  1  0.080860  0.621273  0.479785  1
  Mg  Mg69  1  0.437090  0.608419  0.500726  1
  Mg  Mg70  1  0.126619  0.262196  0.521682  1
  Mg  Mg71  1  0.414193  0.287939  0.479785  1
  Mg  Mg72  1  0.459952  0.928863  0.521682  1
  Mg  Mg73  1  0.755144  0.054567  0.587977  1
  Mg  Mg74  1  0.732179  0.734247  0.567096  1
  Mg  Mg75  1  0.709199  0.413843  0.546132  1
  Mg  Mg76  1  0.088478  0.721234  0.587977  1
  Mg  Mg77  1  0.065512  0.400914  0.567096  1
  Mg  Mg78  1  0.421811  0.387901  0.587977  1
  Mg  Mg79  1  0.042533  0.080510  0.546132  1
  Mg  Mg80  1  0.398846  0.067580  0.567096  1
  Mg  Mg81  1  0.375866  0.747177  0.546132  1
  Mg  Mg82  1  0.839073  0.236416  0.563653  1
  Mg  Mg83  1  0.816233  0.915921  0.542675  1
  Mg  Mg84  1  0.861997  0.556775  0.584590  1
  Mg  Mg85  1  0.172406  0.903083  0.563653  1
  Mg  Mg86  1  0.149566  0.582587  0.542675  1
  Mg  Mg87  1  0.505740  0.569749  0.563653  1
  Mg  Mg88  1  0.195331  0.223442  0.584590  1
  Mg  Mg89  1  0.482900  0.249254  0.542675  1
  Mg  Mg90  1  0.528664  0.890109  0.584590  1
  Mg  Mg91  1  0.824083  0.015347  0.650290  1
  Mg  Mg92  1  0.800667  0.695218  0.629937  1
  Mg  Mg93  1  0.778353  0.375014  0.609070  1
  Mg  Mg94  1  0.157416  0.682014  0.650290  1
  Mg  Mg95  1  0.134001  0.361885  0.629937  1
  Mg  Mg96  1  0.490750  0.348681  0.650290  1
  Mg  Mg97  1  0.111687  0.041681  0.609070  1
  Mg  Mg98  1  0.467334  0.028551  0.629937  1
  Mg  Mg99  1  0.445020  0.708347  0.609070  1
  Mg  Mg100  1  0.907861  0.197378  0.626494  1
  Mg  Mg101  1  0.885262  0.876847  0.605605  1
  Mg  Mg102  1  0.930588  0.518302  0.647197  1
  Mg  Mg103  1  0.241194  0.864045  0.626494  1
  Mg  Mg104  1  0.218596  0.543514  0.605605  1
  Mg  Mg105  1  0.574528  0.530711  0.626494  1
  Mg  Mg106  1  0.263921  0.184969  0.647197  1
  Mg  Mg107  1  0.551929  0.210180  0.605605  1
  Mg  Mg108  1  0.597255  0.851635  0.647197  1
  Mg  Mg109  1  0.889423  0.975396  0.710786  1
  Mg  Mg110  1  0.870337  0.656660  0.691354  1
  Mg  Mg111  1  0.846195  0.336714  0.671023  1
  Mg  Mg112  1  0.222756  0.642063  0.710786  1
  Mg  Mg113  1  0.203670  0.323326  0.691354  1
  Mg  Mg114  1  0.556090  0.308729  0.710786  1
  Mg  Mg115  1  0.179528  0.003381  0.671023  1
  Mg  Mg116  1  0.537003  0.989993  0.691354  1
  Mg  Mg117  1  0.512861  0.670048  0.671023  1
  Mg  Mg118  1  0.975427  0.158869  0.687896  1
  Mg  Mg119  1  0.952483  0.837551  0.667685  1
  Mg  Mg120  1  0.996640  0.478930  0.707711  1
  Mg  Mg121  1  0.308761  0.825535  0.687896  1
  Mg  Mg122  1  0.285817  0.504218  0.667685  1
  Mg  Mg123  1  0.642094  0.492202  0.687896  1
  Mg  Mg124  1  0.329973  0.145597  0.707711  1
  Mg  Mg125  1  0.619150  0.170884  0.667685  1
  Mg  Mg126  1  0.663306  0.812264  0.707711  1
