# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.54126662
_cell_length_b   14.08285425
_cell_length_c   46.06323440
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.93331510
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg168
_cell_volume   8688.37008148
_cell_formula_units_Z   168
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  0.768186  0.316364  0.304148  1
  Mg  Mg2  1  0.434853  0.316364  0.304148  1
  Mg  Mg3  1  0.367349  0.842537  0.288871  1
  Mg  Mg4  1  0.101519  0.316364  0.304148  1
  Mg  Mg5  1  0.034016  0.842537  0.288871  1
  Mg  Mg6  1  0.700682  0.842537  0.288871  1
  Mg  Mg7  1  0.582048  0.049705  0.311373  1
  Mg  Mg8  1  0.248715  0.049705  0.311373  1
  Mg  Mg9  1  0.180461  0.580409  0.296374  1
  Mg  Mg10  1  0.915381  0.049705  0.311373  1
  Mg  Mg11  1  0.847127  0.580409  0.296374  1
  Mg  Mg12  1  0.513794  0.580409  0.296374  1
  Mg  Mg13  1  0.571786  0.255634  0.333885  1
  Mg  Mg14  1  0.238453  0.255634  0.333885  1
  Mg  Mg15  1  0.171228  0.785337  0.318851  1
  Mg  Mg16  1  0.905119  0.255634  0.333885  1
  Mg  Mg17  1  0.837895  0.785337  0.318851  1
  Mg  Mg18  1  0.504562  0.785337  0.318851  1
  Mg  Mg19  1  0.385582  0.991307  0.341856  1
  Mg  Mg20  1  0.052249  0.991307  0.341856  1
  Mg  Mg21  1  0.983885  0.521370  0.326319  1
  Mg  Mg22  1  0.718916  0.991307  0.341856  1
  Mg  Mg23  1  0.650552  0.521370  0.326319  1
  Mg  Mg24  1  0.317219  0.521370  0.326319  1
  Mg  Mg25  1  0.376219  0.197420  0.365386  1
  Mg  Mg26  1  0.042886  0.197420  0.365386  1
  Mg  Mg27  1  0.974898  0.726285  0.350000  1
  Mg  Mg28  1  0.709553  0.197420  0.365386  1
  Mg  Mg29  1  0.641565  0.726285  0.350000  1
  Mg  Mg30  1  0.308231  0.726285  0.350000  1
  Mg  Mg31  1  0.189243  0.932742  0.372930  1
  Mg  Mg32  1  0.855910  0.932742  0.372930  1
  Mg  Mg33  1  0.786982  0.461859  0.357655  1
  Mg  Mg34  1  0.522576  0.932742  0.372930  1
  Mg  Mg35  1  0.453649  0.461859  0.357655  1
  Mg  Mg36  1  0.120316  0.461859  0.357655  1
  Mg  Mg37  1  0.180756  0.139164  0.396312  1
  Mg  Mg38  1  0.847422  0.139164  0.396312  1
  Mg  Mg39  1  0.779032  0.668034  0.380759  1
  Mg  Mg40  1  0.514089  0.139164  0.396312  1
  Mg  Mg41  1  0.445699  0.668034  0.380759  1
  Mg  Mg42  1  0.112365  0.668034  0.380759  1
  Mg  Mg43  1  0.993300  0.874587  0.404225  1
  Mg  Mg44  1  0.659967  0.874587  0.404225  1
  Mg  Mg45  1  0.591006  0.403415  0.388376  1
  Mg  Mg46  1  0.326634  0.874587  0.404225  1
  Mg  Mg47  1  0.257673  0.403415  0.388376  1
  Mg  Mg48  1  0.924339  0.403415  0.388376  1
  Mg  Mg49  1  0.984747  0.080329  0.427869  1
  Mg  Mg50  1  0.651414  0.080329  0.427869  1
  Mg  Mg51  1  0.582985  0.609398  0.412297  1
  Mg  Mg52  1  0.318081  0.080329  0.427869  1
  Mg  Mg53  1  0.249651  0.609398  0.412297  1
  Mg  Mg54  1  0.916318  0.609398  0.412297  1
  Mg  Mg55  1  0.797220  0.815822  0.435641  1
  Mg  Mg56  1  0.463886  0.815822  0.435641  1
  Mg  Mg57  1  0.394979  0.344931  0.420081  1
  Mg  Mg58  1  0.130553  0.815822  0.435641  1
  Mg  Mg59  1  0.061646  0.344931  0.420081  1
  Mg  Mg60  1  0.728312  0.344931  0.420081  1
  Mg  Mg61  1  0.789090  0.022159  0.459173  1
  Mg  Mg62  1  0.455756  0.022159  0.459173  1
  Mg  Mg63  1  0.386997  0.551086  0.443511  1
  Mg  Mg64  1  0.122423  0.022159  0.459173  1
  Mg  Mg65  1  0.053664  0.551086  0.443511  1
  Mg  Mg66  1  0.720331  0.551086  0.443511  1
  Mg  Mg67  1  0.601334  0.757548  0.467041  1
  Mg  Mg68  1  0.268000  0.757548  0.467041  1
  Mg  Mg69  1  0.199204  0.286692  0.451312  1
  Mg  Mg70  1  0.934667  0.757548  0.467041  1
  Mg  Mg71  1  0.865871  0.286692  0.451312  1
  Mg  Mg72  1  0.532537  0.286692  0.451312  1
  Mg  Mg73  1  0.593196  0.963644  0.490692  1
  Mg  Mg74  1  0.259863  0.963644  0.490692  1
  Mg  Mg75  1  0.191142  0.492733  0.475026  1
  Mg  Mg76  1  0.926529  0.963644  0.490692  1
  Mg  Mg77  1  0.857808  0.492733  0.475026  1
  Mg  Mg78  1  0.524475  0.492733  0.475026  1
  Mg  Mg79  1  0.405463  0.699149  0.498495  1
  Mg  Mg80  1  0.072130  0.699149  0.498495  1
  Mg  Mg81  1  0.003292  0.228191  0.482859  1
  Mg  Mg82  1  0.738797  0.699149  0.498495  1
  Mg  Mg83  1  0.669959  0.228191  0.482859  1
  Mg  Mg84  1  0.336625  0.228191  0.482859  1
  Mg  Mg85  1  0.397481  0.905482  0.522026  1
  Mg  Mg86  1  0.064148  0.905482  0.522026  1
  Mg  Mg87  1  0.995310  0.434524  0.506391  1
  Mg  Mg88  1  0.730815  0.905482  0.522026  1
  Mg  Mg89  1  0.661976  0.434524  0.506391  1
  Mg  Mg90  1  0.328643  0.434524  0.506391  1
  Mg  Mg91  1  0.209632  0.640940  0.529859  1
  Mg  Mg92  1  0.876298  0.640940  0.529859  1
  Mg  Mg93  1  0.807577  0.170030  0.514193  1
  Mg  Mg94  1  0.542965  0.640940  0.529859  1
  Mg  Mg95  1  0.474244  0.170030  0.514193  1
  Mg  Mg96  1  0.140911  0.170030  0.514193  1
  Mg  Mg97  1  0.201569  0.846981  0.553573  1
  Mg  Mg98  1  0.868236  0.846981  0.553573  1
  Mg  Mg99  1  0.799440  0.376125  0.537845  1
  Mg  Mg100  1  0.534903  0.846981  0.553573  1
  Mg  Mg101  1  0.466106  0.376125  0.537845  1
  Mg  Mg102  1  0.132773  0.376125  0.537845  1
  Mg  Mg103  1  0.013776  0.582588  0.561375  1
  Mg  Mg104  1  0.680443  0.582588  0.561375  1
  Mg  Mg105  1  0.611683  0.111514  0.545712  1
  Mg  Mg106  1  0.347109  0.582588  0.561375  1
  Mg  Mg107  1  0.278350  0.111514  0.545712  1
  Mg  Mg108  1  0.945017  0.111514  0.545712  1
  Mg  Mg109  1  0.005794  0.788743  0.584804  1
  Mg  Mg110  1  0.672461  0.788743  0.584804  1
  Mg  Mg111  1  0.603554  0.317851  0.569244  1
  Mg  Mg112  1  0.339127  0.788743  0.584804  1
  Mg  Mg113  1  0.270220  0.317851  0.569244  1
  Mg  Mg114  1  0.936887  0.317851  0.569244  1
  Mg  Mg115  1  0.817789  0.524276  0.592589  1
  Mg  Mg116  1  0.484455  0.524276  0.592589  1
  Mg  Mg117  1  0.416026  0.053344  0.577016  1
  Mg  Mg118  1  0.151122  0.524276  0.592589  1
  Mg  Mg119  1  0.082693  0.053344  0.577016  1
  Mg  Mg120  1  0.749359  0.053344  0.577016  1
  Mg  Mg121  1  0.809767  0.730258  0.616509  1
  Mg  Mg122  1  0.476434  0.730258  0.616509  1
  Mg  Mg123  1  0.407473  0.259086  0.600661  1
  Mg  Mg124  1  0.143101  0.730258  0.616509  1
  Mg  Mg125  1  0.074140  0.259086  0.600661  1
  Mg  Mg126  1  0.740806  0.259086  0.600661  1
  Mg  Mg127  1  0.621741  0.465639  0.624126  1
  Mg  Mg128  1  0.288408  0.465639  0.624126  1
  Mg  Mg129  1  0.220018  0.994509  0.608574  1
  Mg  Mg130  1  0.955075  0.465639  0.624126  1
  Mg  Mg131  1  0.886684  0.994509  0.608574  1
  Mg  Mg132  1  0.553351  0.994509  0.608574  1
  Mg  Mg133  1  0.613791  0.671815  0.647231  1
  Mg  Mg134  1  0.280458  0.671815  0.647231  1
  Mg  Mg135  1  0.211530  0.200932  0.631955  1
  Mg  Mg136  1  0.947124  0.671815  0.647231  1
  Mg  Mg137  1  0.878197  0.200932  0.631955  1
  Mg  Mg138  1  0.544864  0.200932  0.631955  1
  Mg  Mg139  1  0.425875  0.407388  0.654885  1
  Mg  Mg140  1  0.092542  0.407388  0.654885  1
  Mg  Mg141  1  0.024554  0.936254  0.639499  1
  Mg  Mg142  1  0.759209  0.407388  0.654885  1
  Mg  Mg143  1  0.691221  0.936254  0.639499  1
  Mg  Mg144  1  0.357887  0.936254  0.639499  1
  Mg  Mg145  1  0.416888  0.612303  0.678567  1
  Mg  Mg146  1  0.083555  0.612303  0.678567  1
  Mg  Mg147  1  0.015191  0.142366  0.663029  1
  Mg  Mg148  1  0.750221  0.612303  0.678567  1
  Mg  Mg149  1  0.681857  0.142366  0.663029  1
  Mg  Mg150  1  0.348524  0.142366  0.663029  1
  Mg  Mg151  1  0.229545  0.348336  0.686034  1
  Mg  Mg152  1  0.896212  0.348336  0.686034  1
  Mg  Mg153  1  0.828987  0.878039  0.671001  1
  Mg  Mg154  1  0.562878  0.348336  0.686034  1
  Mg  Mg155  1  0.495654  0.878039  0.671001  1
  Mg  Mg156  1  0.162321  0.878039  0.671001  1
  Mg  Mg157  1  0.220313  0.553265  0.708511  1
  Mg  Mg158  1  0.886979  0.553265  0.708511  1
  Mg  Mg159  1  0.818725  0.083968  0.693513  1
  Mg  Mg160  1  0.553646  0.553265  0.708511  1
  Mg  Mg161  1  0.485392  0.083968  0.693513  1
  Mg  Mg162  1  0.152058  0.083968  0.693513  1
  Mg  Mg163  1  0.033424  0.291136  0.716015  1
  Mg  Mg164  1  0.700091  0.291136  0.716015  1
  Mg  Mg165  1  0.632587  0.817310  0.700737  1
  Mg  Mg166  1  0.366757  0.291136  0.716015  1
  Mg  Mg167  1  0.299254  0.817310  0.700737  1
  Mg  Mg168  1  0.965921  0.817310  0.700737  1
