# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40992720
_cell_length_b   15.83013611
_cell_length_c   48.80166283
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.17226247
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg126
_cell_volume   6492.31079405
_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  0.481282  0.210468  0.337270  1
  Mg  Mg2  1  0.458337  0.889151  0.317057  1
  Mg  Mg3  1  0.437129  0.569087  0.297240  1
  Mg  Mg4  1  0.814616  0.877134  0.337270  1
  Mg  Mg5  1  0.791670  0.555817  0.317057  1
  Mg  Mg6  1  0.147949  0.543801  0.337270  1
  Mg  Mg7  1  0.770462  0.235753  0.297240  1
  Mg  Mg8  1  0.125004  0.222484  0.317057  1
  Mg  Mg9  1  0.103796  0.902420  0.297240  1
  Mg  Mg10  1  0.563435  0.391359  0.313598  1
  Mg  Mg11  1  0.544355  0.072622  0.294165  1
  Mg  Mg12  1  0.587575  0.711305  0.333932  1
  Mg  Mg13  1  0.896768  0.058026  0.313598  1
  Mg  Mg14  1  0.877688  0.739288  0.294165  1
  Mg  Mg15  1  0.230101  0.724692  0.313598  1
  Mg  Mg16  1  0.920909  0.377971  0.333932  1
  Mg  Mg17  1  0.211021  0.405955  0.294165  1
  Mg  Mg18  1  0.254242  0.044638  0.333932  1
  Mg  Mg19  1  0.548503  0.171169  0.399358  1
  Mg  Mg20  1  0.525905  0.850639  0.378466  1
  Mg  Mg21  1  0.503178  0.529715  0.357761  1
  Mg  Mg22  1  0.881836  0.837836  0.399358  1
  Mg  Mg23  1  0.859239  0.517305  0.378466  1
  Mg  Mg24  1  0.215170  0.504503  0.399358  1
  Mg  Mg25  1  0.836511  0.196382  0.357761  1
  Mg  Mg26  1  0.192572  0.183972  0.378466  1
  Mg  Mg27  1  0.169844  0.863048  0.357761  1
  Mg  Mg28  1  0.633103  0.352799  0.375022  1
  Mg  Mg29  1  0.609687  0.032670  0.354668  1
  Mg  Mg30  1  0.655416  0.673002  0.395892  1
  Mg  Mg31  1  0.966436  0.019466  0.375022  1
  Mg  Mg32  1  0.943020  0.699337  0.354668  1
  Mg  Mg33  1  0.299769  0.686132  0.375022  1
  Mg  Mg34  1  0.988749  0.339669  0.395892  1
  Mg  Mg35  1  0.276354  0.366004  0.354668  1
  Mg  Mg36  1  0.322083  0.006336  0.395892  1
  Mg  Mg37  1  0.617533  0.132093  0.462295  1
  Mg  Mg38  1  0.594693  0.811599  0.441315  1
  Mg  Mg39  1  0.571769  0.491240  0.420375  1
  Mg  Mg40  1  0.950866  0.798760  0.462295  1
  Mg  Mg41  1  0.928026  0.478265  0.441315  1
  Mg  Mg42  1  0.284199  0.465427  0.462295  1
  Mg  Mg43  1  0.905102  0.157907  0.420375  1
  Mg  Mg44  1  0.261359  0.144932  0.441315  1
  Mg  Mg45  1  0.238435  0.824573  0.420375  1
  Mg  Mg46  1  0.701590  0.313768  0.437871  1
  Mg  Mg47  1  0.678625  0.993448  0.416988  1
  Mg  Mg48  1  0.724570  0.634171  0.458838  1
  Mg  Mg49  1  0.034924  0.980435  0.437871  1
  Mg  Mg50  1  0.011959  0.660115  0.416988  1
  Mg  Mg51  1  0.368257  0.647101  0.437871  1
  Mg  Mg52  1  0.057903  0.300838  0.458838  1
  Mg  Mg53  1  0.345292  0.326782  0.416988  1
  Mg  Mg54  1  0.391236  0.967504  0.458838  1
  Mg  Mg55  1  0.686238  0.093407  0.525194  1
  Mg  Mg56  1  0.663342  0.772927  0.504250  1
  Mg  Mg57  1  0.640480  0.452484  0.483292  1
  Mg  Mg58  1  0.019572  0.760073  0.525194  1
  Mg  Mg59  1  0.996675  0.439594  0.504250  1
  Mg  Mg60  1  0.352905  0.426740  0.525194  1
  Mg  Mg61  1  0.973813  0.119150  0.483292  1
  Mg  Mg62  1  0.330008  0.106261  0.504250  1
  Mg  Mg63  1  0.307147  0.785817  0.483292  1
  Mg  Mg64  1  0.770408  0.275074  0.500798  1
  Mg  Mg65  1  0.747511  0.954595  0.479854  1
  Mg  Mg66  1  0.793270  0.595518  0.521756  1
  Mg  Mg67  1  0.103741  0.941741  0.500798  1
  Mg  Mg68  1  0.080844  0.621261  0.479854  1
  Mg  Mg69  1  0.437074  0.608407  0.500798  1
  Mg  Mg70  1  0.126603  0.262184  0.521756  1
  Mg  Mg71  1  0.414178  0.287928  0.479854  1
  Mg  Mg72  1  0.459936  0.928851  0.521756  1
  Mg  Mg73  1  0.755124  0.054553  0.588060  1
  Mg  Mg74  1  0.732159  0.734233  0.567177  1
  Mg  Mg75  1  0.709180  0.413830  0.546210  1
  Mg  Mg76  1  0.088457  0.721220  0.588060  1
  Mg  Mg77  1  0.065492  0.400900  0.567177  1
  Mg  Mg78  1  0.421791  0.387886  0.588060  1
  Mg  Mg79  1  0.042513  0.080497  0.546210  1
  Mg  Mg80  1  0.398826  0.067567  0.567177  1
  Mg  Mg81  1  0.375846  0.747164  0.546210  1
  Mg  Mg82  1  0.839057  0.236403  0.563733  1
  Mg  Mg83  1  0.816217  0.915908  0.542752  1
  Mg  Mg84  1  0.861981  0.556761  0.584673  1
  Mg  Mg85  1  0.172390  0.903069  0.563733  1
  Mg  Mg86  1  0.149550  0.582575  0.542752  1
  Mg  Mg87  1  0.505723  0.569736  0.563733  1
  Mg  Mg88  1  0.195314  0.223428  0.584673  1
  Mg  Mg89  1  0.482883  0.249241  0.542752  1
  Mg  Mg90  1  0.528647  0.890095  0.584673  1
  Mg  Mg91  1  0.824062  0.015331  0.650380  1
  Mg  Mg92  1  0.800647  0.695202  0.630026  1
  Mg  Mg93  1  0.778333  0.374999  0.609156  1
  Mg  Mg94  1  0.157396  0.681998  0.650380  1
  Mg  Mg95  1  0.133980  0.361869  0.630026  1
  Mg  Mg96  1  0.490729  0.348664  0.650380  1
  Mg  Mg97  1  0.111667  0.041666  0.609156  1
  Mg  Mg98  1  0.467313  0.028536  0.630026  1
  Mg  Mg99  1  0.445000  0.708332  0.609156  1
  Mg  Mg100  1  0.907844  0.197363  0.626582  1
  Mg  Mg101  1  0.885246  0.876832  0.605690  1
  Mg  Mg102  1  0.930572  0.518286  0.647287  1
  Mg  Mg103  1  0.241177  0.864029  0.626582  1
  Mg  Mg104  1  0.218580  0.543499  0.605690  1
  Mg  Mg105  1  0.574511  0.530696  0.626582  1
  Mg  Mg106  1  0.263905  0.184953  0.647287  1
  Mg  Mg107  1  0.551913  0.210166  0.605690  1
  Mg  Mg108  1  0.597238  0.851620  0.647287  1
  Mg  Mg109  1  0.889395  0.975380  0.710883  1
  Mg  Mg110  1  0.870315  0.656642  0.691450  1
  Mg  Mg111  1  0.846174  0.336697  0.671116  1
  Mg  Mg112  1  0.222728  0.642046  0.710883  1
  Mg  Mg113  1  0.203648  0.323309  0.691450  1
  Mg  Mg114  1  0.556061  0.308713  0.710883  1
  Mg  Mg115  1  0.179507  0.003363  0.671116  1
  Mg  Mg116  1  0.536981  0.989976  0.691450  1
  Mg  Mg117  1  0.512841  0.670030  0.671116  1
  Mg  Mg118  1  0.975412  0.158851  0.687991  1
  Mg  Mg119  1  0.952467  0.837534  0.667778  1
  Mg  Mg120  1  0.996621  0.478915  0.707808  1
  Mg  Mg121  1  0.308746  0.825517  0.687991  1
  Mg  Mg122  1  0.285800  0.504201  0.667778  1
  Mg  Mg123  1  0.642079  0.492184  0.687991  1
  Mg  Mg124  1  0.329954  0.145581  0.707808  1
  Mg  Mg125  1  0.619134  0.170867  0.667778  1
  Mg  Mg126  1  0.663287  0.812248  0.707808  1
