# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.22809665
_cell_length_b   11.21663052
_cell_length_c   48.29658001
_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   6052.05034935
_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  0.856911  0.191350  0.334527  1
  Mg  Mg2  1  0.320813  0.987841  0.272698  1
  Mg  Mg3  1  0.288530  0.268874  0.293863  1
  Mg  Mg4  1  0.653037  0.655362  0.272707  1
  Mg  Mg5  1  0.594228  0.928942  0.289907  1
  Mg  Mg6  1  0.576846  0.239619  0.314252  1
  Mg  Mg7  1  0.934229  0.623455  0.293907  1
  Mg  Mg8  1  0.904836  0.911297  0.314221  1
  Mg  Mg9  1  0.219602  0.554359  0.309393  1
  Mg  Mg10  1  0.036204  0.370832  0.318809  1
  Mg  Mg11  1  0.402048  0.061780  0.328841  1
  Mg  Mg12  1  0.469196  0.465067  0.282670  1
  Mg  Mg13  1  0.726997  0.736475  0.328848  1
  Mg  Mg14  1  0.781480  0.116199  0.278289  1
  Mg  Mg15  1  0.757904  0.422942  0.302812  1
  Mg  Mg16  1  0.130467  0.804103  0.282687  1
  Mg  Mg17  1  0.088180  0.092366  0.302733  1
  Mg  Mg18  1  0.406569  0.741274  0.299964  1
  Mg  Mg19  1  0.770447  0.104829  0.399649  1
  Mg  Mg20  1  0.219197  0.887952  0.337118  1
  Mg  Mg21  1  0.185981  0.191477  0.357306  1
  Mg  Mg22  1  0.553123  0.553630  0.337102  1
  Mg  Mg23  1  0.492563  0.827136  0.355945  1
  Mg  Mg24  1  0.492661  0.162693  0.382266  1
  Mg  Mg25  1  0.857252  0.520668  0.357363  1
  Mg  Mg26  1  0.827981  0.826922  0.382265  1
  Mg  Mg27  1  0.130409  0.464855  0.374920  1
  Mg  Mg28  1  0.951615  0.285943  0.388101  1
  Mg  Mg29  1  0.309491  0.981326  0.392377  1
  Mg  Mg30  1  0.372639  0.373041  0.347830  1
  Mg  Mg31  1  0.646672  0.643693  0.392348  1
  Mg  Mg32  1  0.676564  0.011105  0.345701  1
  Mg  Mg33  1  0.673077  0.340939  0.369284  1
  Mg  Mg34  1  0.038631  0.707469  0.347879  1
  Mg  Mg35  1  0.006292  0.007237  0.369264  1
  Mg  Mg36  1  0.311845  0.646404  0.365137  1
  Mg  Mg37  1  0.677615  0.011801  0.466098  1
  Mg  Mg38  1  0.128541  0.797270  0.403655  1
  Mg  Mg39  1  0.095840  0.099113  0.425363  1
  Mg  Mg40  1  0.462685  0.462661  0.403599  1
  Mg  Mg41  1  0.404677  0.739016  0.420934  1
  Mg  Mg42  1  0.401924  0.070066  0.447928  1
  Mg  Mg43  1  0.765088  0.430300  0.425393  1
  Mg  Mg44  1  0.735616  0.735965  0.447893  1
  Mg  Mg45  1  0.040724  0.374909  0.443769  1
  Mg  Mg46  1  0.859325  0.193504  0.455023  1
  Mg  Mg47  1  0.220608  0.888308  0.459265  1
  Mg  Mg48  1  0.276625  0.281436  0.413919  1
  Mg  Mg49  1  0.553891  0.554566  0.459218  1
  Mg  Mg50  1  0.587365  0.921793  0.410524  1
  Mg  Mg51  1  0.584092  0.250802  0.437336  1
  Mg  Mg52  1  0.947386  0.611139  0.413967  1
  Mg  Mg53  1  0.916341  0.918161  0.437316  1
  Mg  Mg54  1  0.221717  0.555954  0.431555  1
  Mg  Mg55  1  0.587407  0.921384  0.533235  1
  Mg  Mg56  1  0.038441  0.704537  0.469931  1
  Mg  Mg57  1  0.007450  0.008154  0.492560  1
  Mg  Mg58  1  0.370171  0.372333  0.469889  1
  Mg  Mg59  1  0.313461  0.647550  0.487697  1
  Mg  Mg60  1  0.311934  0.978524  0.515254  1
  Mg  Mg61  1  0.674308  0.341731  0.492587  1
  Mg  Mg62  1  0.644293  0.645718  0.515218  1
  Mg  Mg63  1  0.950165  0.284159  0.509959  1
  Mg  Mg64  1  0.768937  0.102912  0.521440  1
  Mg  Mg65  1  0.129323  0.795712  0.525946  1
  Mg  Mg66  1  0.188899  0.189438  0.481099  1
  Mg  Mg67  1  0.461525  0.463065  0.525903  1
  Mg  Mg68  1  0.495967  0.830114  0.477073  1
  Mg  Mg69  1  0.493010  0.159784  0.503549  1
  Mg  Mg70  1  0.855583  0.523227  0.481136  1
  Mg  Mg71  1  0.825534  0.826829  0.503522  1
  Mg  Mg72  1  0.131888  0.465937  0.499200  1
  Mg  Mg73  1  0.496323  0.830145  0.599509  1
  Mg  Mg74  1  0.946350  0.614324  0.536821  1
  Mg  Mg75  1  0.915485  0.918733  0.558920  1
  Mg  Mg76  1  0.280183  0.280050  0.536769  1
  Mg  Mg77  1  0.221864  0.555741  0.555031  1
  Mg  Mg78  1  0.220323  0.888653  0.581786  1
  Mg  Mg79  1  0.585098  0.249542  0.558938  1
  Mg  Mg80  1  0.554627  0.553889  0.581745  1
  Mg  Mg81  1  0.859942  0.193670  0.577079  1
  Mg  Mg82  1  0.679581  0.013403  0.589482  1
  Mg  Mg83  1  0.035603  0.707365  0.592485  1
  Mg  Mg84  1  0.097572  0.099157  0.547798  1
  Mg  Mg85  1  0.373385  0.369104  0.592429  1
  Mg  Mg86  1  0.404135  0.738059  0.543858  1
  Mg  Mg87  1  0.404081  0.070507  0.571240  1
  Mg  Mg88  1  0.765512  0.431632  0.547833  1
  Mg  Mg89  1  0.736403  0.737735  0.571216  1
  Mg  Mg90  1  0.039935  0.373723  0.565122  1
  Mg  Mg91  1  0.402193  0.735714  0.666531  1
  Mg  Mg92  1  0.854688  0.521972  0.603264  1
  Mg  Mg93  1  0.826076  0.829664  0.627861  1
  Mg  Mg94  1  0.188087  0.188143  0.603229  1
  Mg  Mg95  1  0.131544  0.465157  0.619504  1
  Mg  Mg96  1  0.129255  0.798392  0.647754  1
  Mg  Mg97  1  0.496156  0.159982  0.627877  1
  Mg  Mg98  1  0.464678  0.462562  0.647702  1
  Mg  Mg99  1  0.769981  0.103552  0.646444  1
  Mg  Mg100  1  0.583592  0.917286  0.655882  1
  Mg  Mg101  1  0.949746  0.613482  0.657552  1
  Mg  Mg102  1  0.004176  0.008610  0.614403  1
  Mg  Mg103  1  0.279772  0.283025  0.657522  1
  Mg  Mg104  1  0.314177  0.647860  0.610279  1
  Mg  Mg105  1  0.312964  0.977913  0.637831  1
  Mg  Mg106  1  0.675194  0.337964  0.614410  1
  Mg  Mg107  1  0.644045  0.646452  0.637781  1
  Mg  Mg108  1  0.951803  0.285369  0.632527  1
  Mg  Mg109  1  0.313078  0.646357  0.727866  1
  Mg  Mg110  1  0.771992  0.432766  0.667712  1
  Mg  Mg111  1  0.745670  0.737475  0.692658  1
  Mg  Mg112  1  0.099058  0.105342  0.667719  1
  Mg  Mg113  1  0.050051  0.383494  0.687945  1
  Mg  Mg114  1  0.038621  0.689870  0.712997  1
  Mg  Mg115  1  0.404092  0.079370  0.692721  1
  Mg  Mg116  1  0.356513  0.371707  0.712961  1
  Mg  Mg117  1  0.682558  0.016032  0.708372  1
  Mg  Mg118  1  0.497711  0.831147  0.718996  1
  Mg  Mg119  1  0.845812  0.507310  0.724155  1
  Mg  Mg120  1  0.929004  0.922162  0.683398  1
  Mg  Mg121  1  0.173805  0.179138  0.724159  1
  Mg  Mg122  1  0.224196  0.557577  0.673280  1
  Mg  Mg123  1  0.215932  0.895538  0.703111  1
  Mg  Mg124  1  0.588852  0.262628  0.683401  1
  Mg  Mg125  1  0.561998  0.549227  0.703068  1
  Mg  Mg126  1  0.870346  0.203857  0.700497  1
