# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50188029
_cell_length_b   31.19545630
_cell_length_c   45.81535867
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.05223685
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg156
_cell_volume   7832.90705641
_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  0.968103  0.983352  0.281673  1
  Mg  Mg2  1  0.135811  0.312866  0.292748  1
  Mg  Mg3  1  0.304279  0.645129  0.304274  1
  Mg  Mg4  1  0.425533  0.229710  0.290118  1
  Mg  Mg5  1  0.593856  0.562025  0.301567  1
  Mg  Mg6  1  0.765811  0.895552  0.312093  1
  Mg  Mg7  1  0.051403  0.146653  0.287076  1
  Mg  Mg8  1  0.219797  0.479008  0.298464  1
  Mg  Mg9  1  0.390592  0.810818  0.310044  1
  Mg  Mg10  1  0.674037  0.064147  0.284330  1
  Mg  Mg11  1  0.845879  0.395942  0.295827  1
  Mg  Mg12  1  0.014712  0.728146  0.307408  1
  Mg  Mg13  1  0.467508  0.978127  0.314335  1
  Mg  Mg14  1  0.634515  0.310375  0.325812  1
  Mg  Mg15  1  0.802881  0.642622  0.337335  1
  Mg  Mg16  1  0.927284  0.227337  0.323008  1
  Mg  Mg17  1  0.095301  0.559583  0.334452  1
  Mg  Mg18  1  0.263082  0.892301  0.345263  1
  Mg  Mg19  1  0.550519  0.144435  0.320246  1
  Mg  Mg20  1  0.718536  0.476526  0.331563  1
  Mg  Mg21  1  0.887448  0.808947  0.342971  1
  Mg  Mg22  1  0.173772  0.061587  0.317541  1
  Mg  Mg23  1  0.341887  0.393457  0.328707  1
  Mg  Mg24  1  0.510609  0.725582  0.340351  1
  Mg  Mg25  1  0.966012  0.975624  0.348615  1
  Mg  Mg26  1  0.133241  0.307842  0.359900  1
  Mg  Mg27  1  0.301151  0.640120  0.371421  1
  Mg  Mg28  1  0.424467  0.224790  0.357138  1
  Mg  Mg29  1  0.592500  0.557057  0.368560  1
  Mg  Mg30  1  0.760131  0.889540  0.379664  1
  Mg  Mg31  1  0.048971  0.141736  0.354275  1
  Mg  Mg32  1  0.217214  0.473977  0.365626  1
  Mg  Mg33  1  0.385367  0.806478  0.377090  1
  Mg  Mg34  1  0.673650  0.058352  0.351218  1
  Mg  Mg35  1  0.841902  0.390892  0.362814  1
  Mg  Mg36  1  0.010075  0.723304  0.374355  1
  Mg  Mg37  1  0.465424  0.972639  0.382559  1
  Mg  Mg38  1  0.631987  0.305250  0.394247  1
  Mg  Mg39  1  0.799713  0.637643  0.405733  1
  Mg  Mg40  1  0.923444  0.222169  0.391437  1
  Mg  Mg41  1  0.091299  0.554504  0.402874  1
  Mg  Mg42  1  0.258357  0.886941  0.414172  1
  Mg  Mg43  1  0.548167  0.138963  0.388528  1
  Mg  Mg44  1  0.715887  0.471410  0.399978  1
  Mg  Mg45  1  0.883440  0.803849  0.411449  1
  Mg  Mg46  1  0.173181  0.055873  0.385674  1
  Mg  Mg47  1  0.340385  0.388325  0.397130  1
  Mg  Mg48  1  0.508018  0.720764  0.408675  1
  Mg  Mg49  1  0.964473  0.969999  0.417455  1
  Mg  Mg50  1  0.130770  0.302594  0.429061  1
  Mg  Mg51  1  0.298243  0.635045  0.440554  1
  Mg  Mg52  1  0.422543  0.219445  0.426223  1
  Mg  Mg53  1  0.590206  0.551926  0.437688  1
  Mg  Mg54  1  0.756801  0.884306  0.449093  1
  Mg  Mg55  1  0.046924  0.136324  0.423330  1
  Mg  Mg56  1  0.214558  0.468810  0.434793  1
  Mg  Mg57  1  0.381715  0.801248  0.446310  1
  Mg  Mg58  1  0.671731  0.053128  0.420347  1
  Mg  Mg59  1  0.838868  0.385700  0.431954  1
  Mg  Mg60  1  0.006194  0.718151  0.443474  1
  Mg  Mg61  1  0.463219  0.967383  0.452095  1
  Mg  Mg62  1  0.629475  0.299953  0.463754  1
  Mg  Mg63  1  0.796824  0.632444  0.475252  1
  Mg  Mg64  1  0.921365  0.216827  0.460900  1
  Mg  Mg65  1  0.088849  0.549326  0.472374  1
  Mg  Mg66  1  0.255320  0.881759  0.483855  1
  Mg  Mg67  1  0.545827  0.133665  0.458000  1
  Mg  Mg68  1  0.713215  0.466204  0.469498  1
  Mg  Mg69  1  0.880255  0.798660  0.481013  1
  Mg  Mg70  1  0.170536  0.050536  0.455099  1
  Mg  Mg71  1  0.337562  0.383083  0.466633  1
  Mg  Mg72  1  0.504738  0.715563  0.478170  1
  Mg  Mg73  1  0.962018  0.964835  0.486920  1
  Mg  Mg74  1  0.128223  0.297328  0.498490  1
  Mg  Mg75  1  0.295451  0.629838  0.509995  1
  Mg  Mg76  1  0.420184  0.214191  0.495617  1
  Mg  Mg77  1  0.587471  0.546708  0.507102  1
  Mg  Mg78  1  0.753966  0.879191  0.518613  1
  Mg  Mg79  1  0.044580  0.131064  0.492740  1
  Mg  Mg80  1  0.211863  0.463585  0.504234  1
  Mg  Mg81  1  0.378873  0.796094  0.515791  1
  Mg  Mg82  1  0.669201  0.047921  0.489798  1
  Mg  Mg83  1  0.836236  0.380455  0.501360  1
  Mg  Mg84  1  0.003388  0.712959  0.512884  1
  Mg  Mg85  1  0.460652  0.962253  0.521686  1
  Mg  Mg86  1  0.626942  0.294707  0.533222  1
  Mg  Mg87  1  0.794047  0.627217  0.544715  1
  Mg  Mg88  1  0.918952  0.211584  0.530352  1
  Mg  Mg89  1  0.086088  0.544094  0.541836  1
  Mg  Mg90  1  0.252662  0.876633  0.553440  1
  Mg  Mg91  1  0.543368  0.128460  0.527464  1
  Mg  Mg92  1  0.710530  0.460962  0.538966  1
  Mg  Mg93  1  0.877664  0.793492  0.550504  1
  Mg  Mg94  1  0.167928  0.045365  0.524576  1
  Mg  Mg95  1  0.334943  0.377836  0.536092  1
  Mg  Mg96  1  0.502090  0.710373  0.547628  1
  Mg  Mg97  1  0.959310  0.959724  0.556440  1
  Mg  Mg98  1  0.125675  0.292102  0.567929  1
  Mg  Mg99  1  0.292743  0.624598  0.579422  1
  Mg  Mg100  1  0.417677  0.208979  0.565027  1
  Mg  Mg101  1  0.584690  0.541461  0.576506  1
  Mg  Mg102  1  0.751398  0.874019  0.588050  1
  Mg  Mg103  1  0.042054  0.125861  0.562186  1
  Mg  Mg104  1  0.209187  0.458342  0.573670  1
  Mg  Mg105  1  0.376437  0.790917  0.585273  1
  Mg  Mg106  1  0.666460  0.042762  0.559261  1
  Mg  Mg107  1  0.833660  0.375227  0.570767  1
  Mg  Mg108  1  1.000877  0.707706  0.582270  1
  Mg  Mg109  1  0.457667  0.957075  0.591370  1
  Mg  Mg110  1  0.624412  0.289516  0.602734  1
  Mg  Mg111  1  0.791260  0.621941  0.614204  1
  Mg  Mg112  1  0.916128  0.206381  0.599852  1
  Mg  Mg113  1  0.083041  0.538815  0.611320  1
  Mg  Mg114  1  0.249966  0.871445  0.622968  1
  Mg  Mg115  1  0.540748  0.123260  0.596993  1
  Mg  Mg116  1  0.707849  0.455710  0.608478  1
  Mg  Mg117  1  0.875513  0.788147  0.619966  1
  Mg  Mg118  1  0.165267  0.040158  0.594135  1
  Mg  Mg119  1  0.332596  0.372621  0.605590  1
  Mg  Mg120  1  0.499703  0.705132  0.617110  1
  Mg  Mg121  1  0.955862  0.954484  0.625847  1
  Mg  Mg122  1  0.123113  0.286980  0.637078  1
  Mg  Mg123  1  0.289925  0.619267  0.648529  1
  Mg  Mg124  1  0.414614  0.203899  0.634143  1
  Mg  Mg125  1  0.581504  0.536190  0.645618  1
  Mg  Mg126  1  0.749345  0.868441  0.656845  1
  Mg  Mg127  1  0.039518  0.120705  0.631354  1
  Mg  Mg128  1  0.206524  0.453128  0.642829  1
  Mg  Mg129  1  0.374015  0.785726  0.654431  1
  Mg  Mg130  1  0.664001  0.037574  0.628459  1
  Mg  Mg131  1  0.831529  0.370062  0.639899  1
  Mg  Mg132  1  0.998616  0.702381  0.651359  1
  Mg  Mg133  1  0.454532  0.951721  0.660256  1
  Mg  Mg134  1  0.621869  0.284458  0.671142  1
  Mg  Mg135  1  0.788491  0.616639  0.682565  1
  Mg  Mg136  1  0.914929  0.201394  0.668242  1
  Mg  Mg137  1  0.081632  0.533639  0.679735  1
  Mg  Mg138  1  0.247421  0.865746  0.691128  1
  Mg  Mg139  1  0.538387  0.118381  0.665366  1
  Mg  Mg140  1  0.705254  0.450573  0.676899  1
  Mg  Mg141  1  0.872514  0.782719  0.688256  1
  Mg  Mg142  1  0.161743  0.035070  0.662633  1
  Mg  Mg143  1  0.328884  0.367506  0.674009  1
  Mg  Mg144  1  0.495257  0.699705  0.685409  1
  Mg  Mg145  1  0.949301  0.948868  0.693399  1
  Mg  Mg146  1  0.120574  0.281960  0.704230  1
  Mg  Mg147  1  0.287338  0.614232  0.715683  1
  Mg  Mg148  1  0.411342  0.198997  0.701147  1
  Mg  Mg149  1  0.577648  0.531176  0.712619  1
  Mg  Mg150  1  0.744443  0.861661  0.723643  1
  Mg  Mg151  1  0.037840  0.116036  0.698493  1
  Mg  Mg152  1  0.204019  0.448091  0.709986  1
  Mg  Mg153  1  0.369223  0.779533  0.721460  1
  Mg  Mg154  1  0.664160  0.033251  0.695398  1
  Mg  Mg155  1  0.830382  0.365047  0.706892  1
  Mg  Mg156  1  0.995295  0.697043  0.718349  1
