# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.22452870
_cell_length_b   11.21426979
_cell_length_c   48.42042036
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg126
_cell_volume   6064.3640904
_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  0.881902  0.213077  0.333046  1
  Mg  Mg2  1  0.211854  0.882943  0.333012  1
  Mg  Mg3  1  0.290112  0.291500  0.287770  1
  Mg  Mg4  1  0.666410  0.667657  0.270373  1
  Mg  Mg5  1  0.629804  0.943588  0.286897  1
  Mg  Mg6  1  0.579268  0.234291  0.306894  1
  Mg  Mg7  1  0.942411  0.631027  0.286829  1
  Mg  Mg8  1  0.915730  0.916884  0.309199  1
  Mg  Mg9  1  0.233165  0.580550  0.306902  1
  Mg  Mg10  1  0.051976  0.392536  0.315450  1
  Mg  Mg11  1  0.391147  0.053186  0.315411  1
  Mg  Mg12  1  0.476339  0.477523  0.277465  1
  Mg  Mg13  1  0.742108  0.743023  0.326076  1
  Mg  Mg14  1  0.816281  0.138920  0.275863  1
  Mg  Mg15  1  0.764929  0.421309  0.296438  1
  Mg  Mg16  1  0.137650  0.817559  0.275827  1
  Mg  Mg17  1  0.099458  0.100768  0.296861  1
  Mg  Mg18  1  0.420013  0.766147  0.296384  1
  Mg  Mg19  1  0.793066  0.129003  0.397617  1
  Mg  Mg20  1  0.127940  0.793939  0.397593  1
  Mg  Mg21  1  0.196797  0.197915  0.351434  1
  Mg  Mg22  1  0.563483  0.564715  0.331444  1
  Mg  Mg23  1  0.513909  0.856162  0.352198  1
  Mg  Mg24  1  0.484150  0.156391  0.371657  1
  Mg  Mg25  1  0.854990  0.514876  0.352267  1
  Mg  Mg26  1  0.833851  0.834844  0.378738  1
  Mg  Mg27  1  0.155444  0.485302  0.371692  1
  Mg  Mg28  1  0.978834  0.307139  0.386453  1
  Mg  Mg29  1  0.306117  0.979691  0.386419  1
  Mg  Mg30  1  0.383162  0.384314  0.341626  1
  Mg  Mg31  1  0.649726  0.650828  0.387169  1
  Mg  Mg32  1  0.703375  0.032785  0.343206  1
  Mg  Mg33  1  0.667497  0.338863  0.362246  1
  Mg  Mg34  1  0.031573  0.704311  0.343178  1
  Mg  Mg35  1  0.012220  0.013246  0.364648  1
  Mg  Mg36  1  0.337862  0.668718  0.362260  1
  Mg  Mg37  1  0.699369  0.035345  0.463805  1
  Mg  Mg38  1  0.034438  0.700136  0.463821  1
  Mg  Mg39  1  0.101304  0.102156  0.420520  1
  Mg  Mg40  1  0.467487  0.468519  0.398313  1
  Mg  Mg41  1  0.425592  0.761923  0.418593  1
  Mg  Mg42  1  0.396114  0.065051  0.442075  1
  Mg  Mg43  1  0.760911  0.426483  0.418570  1
  Mg  Mg44  1  0.739660  0.740564  0.442329  1
  Mg  Mg45  1  0.064288  0.397055  0.442092  1
  Mg  Mg46  1  0.882400  0.216570  0.453095  1
  Mg  Mg47  1  0.215626  0.883123  0.453080  1
  Mg  Mg48  1  0.283638  0.284565  0.408611  1
  Mg  Mg49  1  0.558079  0.558920  0.454154  1
  Mg  Mg50  1  0.606497  0.947460  0.407794  1
  Mg  Mg51  1  0.575366  0.244479  0.428887  1
  Mg  Mg52  1  0.946469  0.607433  0.407819  1
  Mg  Mg53  1  0.921918  0.922785  0.432624  1
  Mg  Mg54  1  0.243628  0.576365  0.428916  1
  Mg  Mg55  1  0.609505  0.940267  0.531235  1
  Mg  Mg56  1  0.939540  0.610095  0.531203  1
  Mg  Mg57  1  0.009499  0.010264  0.487502  1
  Mg  Mg58  1  0.374067  0.374858  0.464990  1
  Mg  Mg59  1  0.334905  0.667606  0.485230  1
  Mg  Mg60  1  0.306083  0.971436  0.508151  1
  Mg  Mg61  1  0.666781  0.335587  0.485214  1
  Mg  Mg62  1  0.647318  0.648023  0.511002  1
  Mg  Mg63  1  0.970798  0.306889  0.508173  1
  Mg  Mg64  1  0.789777  0.125212  0.519756  1
  Mg  Mg65  1  0.124467  0.790415  0.519752  1
  Mg  Mg66  1  0.191193  0.191981  0.476209  1
  Mg  Mg67  1  0.464080  0.464729  0.521352  1
  Mg  Mg68  1  0.518983  0.850577  0.474874  1
  Mg  Mg69  1  0.487204  0.153637  0.497457  1
  Mg  Mg70  1  0.849696  0.519693  0.474853  1
  Mg  Mg71  1  0.827778  0.828574  0.498154  1
  Mg  Mg72  1  0.153004  0.487990  0.497468  1
  Mg  Mg73  1  0.513254  0.847845  0.597526  1
  Mg  Mg74  1  0.847349  0.513675  0.597537  1
  Mg  Mg75  1  0.918358  0.918971  0.553497  1
  Mg  Mg76  1  0.281504  0.282150  0.531790  1
  Mg  Mg77  1  0.240519  0.577654  0.553145  1
  Mg  Mg78  1  0.212672  0.883168  0.575715  1
  Mg  Mg79  1  0.576974  0.241025  0.553142  1
  Mg  Mg80  1  0.555095  0.555633  0.577760  1
  Mg  Mg81  1  0.882687  0.213329  0.575722  1
  Mg  Mg82  1  0.702934  0.028409  0.587660  1
  Mg  Mg83  1  0.027837  0.703333  0.587627  1
  Mg  Mg84  1  0.099315  0.099946  0.542120  1
  Mg  Mg85  1  0.371614  0.372191  0.587447  1
  Mg  Mg86  1  0.423293  0.758022  0.541590  1
  Mg  Mg87  1  0.394418  0.060072  0.563230  1
  Mg  Mg88  1  0.757325  0.423882  0.541587  1
  Mg  Mg89  1  0.739160  0.739674  0.567756  1
  Mg  Mg90  1  0.059592  0.395134  0.563250  1
  Mg  Mg91  1  0.416622  0.757639  0.663615  1
  Mg  Mg92  1  0.757155  0.416783  0.663620  1
  Mg  Mg93  1  0.829503  0.829849  0.625793  1
  Mg  Mg94  1  0.187448  0.187978  0.597474  1
  Mg  Mg95  1  0.146017  0.484264  0.617811  1
  Mg  Mg96  1  0.115733  0.792597  0.644569  1
  Mg  Mg97  1  0.483709  0.146421  0.617766  1
  Mg  Mg98  1  0.465951  0.466387  0.641993  1
  Mg  Mg99  1  0.792302  0.116208  0.644606  1
  Mg  Mg100  1  0.597166  0.939168  0.653661  1
  Mg  Mg101  1  0.938713  0.597427  0.653701  1
  Mg  Mg102  1  0.006407  0.006920  0.609529  1
  Mg  Mg103  1  0.282403  0.282732  0.651321  1
  Mg  Mg104  1  0.326918  0.669313  0.608469  1
  Mg  Mg105  1  0.303174  0.971164  0.632083  1
  Mg  Mg106  1  0.668779  0.327332  0.608462  1
  Mg  Mg107  1  0.647218  0.647566  0.634246  1
  Mg  Mg108  1  0.970808  0.303630  0.632110  1
  Mg  Mg109  1  0.320761  0.639138  0.727072  1
  Mg  Mg110  1  0.638947  0.320932  0.727025  1
  Mg  Mg111  1  0.744006  0.744399  0.689652  1
  Mg  Mg112  1  0.102071  0.102359  0.663694  1
  Mg  Mg113  1  0.074616  0.393248  0.687963  1
  Mg  Mg114  1  0.039710  0.680451  0.708411  1
  Mg  Mg115  1  0.392953  0.074706  0.687944  1
  Mg  Mg116  1  0.363381  0.363555  0.708267  1
  Mg  Mg117  1  0.680246  0.039959  0.708380  1
  Mg  Mg118  1  0.499568  0.842108  0.718638  1
  Mg  Mg119  1  0.841848  0.499797  0.718607  1
  Mg  Mg120  1  0.928031  0.928293  0.682949  1
  Mg  Mg121  1  0.170467  0.170567  0.721700  1
  Mg  Mg122  1  0.244575  0.571529  0.670705  1
  Mg  Mg123  1  0.213618  0.886242  0.699941  1
  Mg  Mg124  1  0.571006  0.244782  0.670667  1
  Mg  Mg125  1  0.557340  0.557676  0.697182  1
  Mg  Mg126  1  0.886202  0.213877  0.699978  1
