# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.97563222
_cell_length_b   17.78965259
_cell_length_c   15.55883868
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.94827556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg179
_cell_volume   4126.70794183
_cell_formula_units_Z   179
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  0.077858  0.055724  0.583596  1
  Mg  Mg2  1  0.077858  0.055724  0.916565  1
  Mg  Mg3  1  0.912357  0.221767  0.250080  1
  Mg  Mg4  1  0.911339  0.222144  0.583150  1
  Mg  Mg5  1  0.911339  0.222144  0.917011  1
  Mg  Mg6  1  0.744670  0.388929  0.250080  1
  Mg  Mg7  1  0.744612  0.388884  0.583318  1
  Mg  Mg8  1  0.744612  0.388884  0.916843  1
  Mg  Mg9  1  0.577835  0.555640  0.250080  1
  Mg  Mg10  1  0.577828  0.555642  0.583382  1
  Mg  Mg11  1  0.577828  0.555642  0.916779  1
  Mg  Mg12  1  0.411118  0.722464  0.250080  1
  Mg  Mg13  1  0.411053  0.722431  0.583320  1
  Mg  Mg14  1  0.411053  0.722431  0.916840  1
  Mg  Mg15  1  0.244015  0.890104  0.250080  1
  Mg  Mg16  1  0.244267  0.889197  0.583154  1
  Mg  Mg17  1  0.244267  0.889197  0.917007  1
  Mg  Mg18  1  0.277047  0.055238  0.250080  1
  Mg  Mg19  1  0.277596  0.055778  0.583150  1
  Mg  Mg20  1  0.277596  0.055778  0.917010  1
  Mg  Mg21  1  0.110532  0.221786  0.250080  1
  Mg  Mg22  1  0.111244  0.222147  0.583150  1
  Mg  Mg23  1  0.111244  0.222147  0.917010  1
  Mg  Mg24  1  0.944688  0.388704  0.250080  1
  Mg  Mg25  1  0.944464  0.389260  0.583847  1
  Mg  Mg26  1  0.944464  0.389260  0.916314  1
  Mg  Mg27  1  0.777921  0.555646  0.250080  1
  Mg  Mg28  1  0.777832  0.555694  0.583414  1
  Mg  Mg29  1  0.777832  0.555694  0.916746  1
  Mg  Mg30  1  0.611135  0.722396  0.250080  1
  Mg  Mg31  1  0.611200  0.722304  0.583418  1
  Mg  Mg32  1  0.611200  0.722304  0.916742  1
  Mg  Mg33  1  0.444140  0.889189  0.250080  1
  Mg  Mg34  1  0.444725  0.888917  0.583853  1
  Mg  Mg35  1  0.444725  0.888917  0.916307  1
  Mg  Mg36  1  0.477803  0.055620  0.250080  1
  Mg  Mg37  1  0.477746  0.055719  0.583311  1
  Mg  Mg38  1  0.477746  0.055719  0.916849  1
  Mg  Mg39  1  0.310770  0.222014  0.250080  1
  Mg  Mg40  1  0.311109  0.222285  0.583222  1
  Mg  Mg41  1  0.311109  0.222285  0.916939  1
  Mg  Mg42  1  0.144461  0.389004  0.250080  1
  Mg  Mg43  1  0.144548  0.388927  0.583315  1
  Mg  Mg44  1  0.144548  0.388927  0.916845  1
  Mg  Mg45  1  0.977879  0.555718  0.250080  1
  Mg  Mg46  1  0.977911  0.555793  0.583400  1
  Mg  Mg47  1  0.977911  0.555793  0.916760  1
  Mg  Mg48  1  0.811202  0.722436  0.250080  1
  Mg  Mg49  1  0.811196  0.722329  0.583422  1
  Mg  Mg50  1  0.811196  0.722329  0.916739  1
  Mg  Mg51  1  0.644524  0.889009  0.250080  1
  Mg  Mg52  1  0.644518  0.889024  0.583416  1
  Mg  Mg53  1  0.644518  0.889024  0.916744  1
  Mg  Mg54  1  0.677947  0.055628  0.250080  1
  Mg  Mg55  1  0.677934  0.055725  0.583312  1
  Mg  Mg56  1  0.677934  0.055725  0.916849  1
  Mg  Mg57  1  0.511215  0.222259  0.250080  1
  Mg  Mg58  1  0.511191  0.222330  0.583349  1
  Mg  Mg59  1  0.511191  0.222330  0.916811  1
  Mg  Mg60  1  0.344482  0.388875  0.250080  1
  Mg  Mg61  1  0.344521  0.388960  0.583362  1
  Mg  Mg62  1  0.344521  0.388960  0.916798  1
  Mg  Mg63  1  0.177865  0.555831  0.250080  1
  Mg  Mg64  1  0.177885  0.555716  0.583365  1
  Mg  Mg65  1  0.177885  0.555716  0.916795  1
  Mg  Mg66  1  0.011152  0.722545  0.250080  1
  Mg  Mg67  1  0.011262  0.722513  0.583328  1
  Mg  Mg68  1  0.011262  0.722513  0.916832  1
  Mg  Mg69  1  0.844761  0.889225  0.250080  1
  Mg  Mg70  1  0.844395  0.888946  0.583855  1
  Mg  Mg71  1  0.844395  0.888946  0.916305  1
  Mg  Mg72  1  0.879023  0.055253  0.250080  1
  Mg  Mg73  1  0.878053  0.055792  0.583151  1
  Mg  Mg74  1  0.878053  0.055792  0.917009  1
  Mg  Mg75  1  0.711879  0.222008  0.250080  1
  Mg  Mg76  1  0.711327  0.222279  0.583222  1
  Mg  Mg77  1  0.711327  0.222279  0.916939  1
  Mg  Mg78  1  0.544637  0.388859  0.250080  1
  Mg  Mg79  1  0.544550  0.388946  0.583364  1
  Mg  Mg80  1  0.544550  0.388946  0.916796  1
  Mg  Mg81  1  0.377749  0.555758  0.250080  1
  Mg  Mg82  1  0.377815  0.555691  0.583367  1
  Mg  Mg83  1  0.377815  0.555691  0.916793  1
  Mg  Mg84  1  0.210928  0.723039  0.250080  1
  Mg  Mg85  1  0.211140  0.722504  0.583225  1
  Mg  Mg86  1  0.211140  0.722504  0.916935  1
  Mg  Mg87  1  0.044181  0.890142  0.250080  1
  Mg  Mg88  1  0.044654  0.889228  0.583155  1
  Mg  Mg89  1  0.044654  0.889228  0.917005  1
  Mg  Mg90  1  0.956457  0.110896  0.084487  1
  Mg  Mg91  1  0.956457  0.110896  0.415674  1
  Mg  Mg92  1  0.955636  0.111267  0.750080  1
  Mg  Mg93  1  0.789545  0.277579  0.083733  1
  Mg  Mg94  1  0.789545  0.277579  0.416428  1
  Mg  Mg95  1  0.789069  0.277821  0.750080  1
  Mg  Mg96  1  0.622395  0.444428  0.083453  1
  Mg  Mg97  1  0.622395  0.444428  0.416708  1
  Mg  Mg98  1  0.622319  0.444509  0.750080  1
  Mg  Mg99  1  0.455520  0.611314  0.083452  1
  Mg  Mg100  1  0.455520  0.611314  0.416708  1
  Mg  Mg101  1  0.455588  0.611249  0.750080  1
  Mg  Mg102  1  0.288699  0.778465  0.083727  1
  Mg  Mg103  1  0.288699  0.778465  0.416433  1
  Mg  Mg104  1  0.288893  0.778024  0.750080  1
  Mg  Mg105  1  0.122004  0.945380  0.084489  1
  Mg  Mg106  1  0.122004  0.945380  0.415671  1
  Mg  Mg107  1  0.122304  0.944616  0.750080  1
  Mg  Mg108  1  0.155117  0.110905  0.084487  1
  Mg  Mg109  1  0.155117  0.110905  0.415673  1
  Mg  Mg110  1  0.155639  0.111272  0.750080  1
  Mg  Mg111  1  0.988382  0.279449  0.082159  1
  Mg  Mg112  1  0.988382  0.279449  0.418001  1
  Mg  Mg113  1  0.989023  0.277820  0.750080  1
  Mg  Mg114  1  0.822159  0.444767  0.083392  1
  Mg  Mg115  1  0.822159  0.444767  0.416768  1
  Mg  Mg116  1  0.822183  0.444601  0.750080  1
  Mg  Mg117  1  0.655609  0.611197  0.083440  1
  Mg  Mg118  1  0.655609  0.611197  0.416720  1
  Mg  Mg119  1  0.655612  0.611206  0.750080  1
  Mg  Mg120  1  0.489171  0.777732  0.083387  1
  Mg  Mg121  1  0.489171  0.777732  0.416773  1
  Mg  Mg122  1  0.488982  0.777791  0.750080  1
  Mg  Mg123  1  0.323930  0.943842  0.082157  1
  Mg  Mg124  1  0.323930  0.943842  0.418003  1
  Mg  Mg125  1  0.322161  0.944651  0.750080  1
  Mg  Mg126  1  0.355249  0.111017  0.083731  1
  Mg  Mg127  1  0.355249  0.111017  0.416429  1
  Mg  Mg128  1  0.355549  0.111228  0.750080  1
  Mg  Mg129  1  0.188654  0.277632  0.083734  1
  Mg  Mg130  1  0.188654  0.277632  0.416426  1
  Mg  Mg131  1  0.188940  0.277856  0.750080  1
  Mg  Mg132  1  0.022309  0.444883  0.083392  1
  Mg  Mg133  1  0.022309  0.444883  0.416768  1
  Mg  Mg134  1  0.022412  0.444667  0.750080  1
  Mg  Mg135  1  0.855630  0.611228  0.083419  1
  Mg  Mg136  1  0.855630  0.611228  0.416741  1
  Mg  Mg137  1  0.855650  0.611222  0.750080  1
  Mg  Mg138  1  0.688975  0.777859  0.083399  1
  Mg  Mg139  1  0.688975  0.777859  0.416762  1
  Mg  Mg140  1  0.688963  0.777899  0.750080  1
  Mg  Mg141  1  0.522486  0.944511  0.083397  1
  Mg  Mg142  1  0.522486  0.944511  0.416763  1
  Mg  Mg143  1  0.522339  0.944650  0.750080  1
  Mg  Mg144  1  0.555647  0.111192  0.083468  1
  Mg  Mg145  1  0.555647  0.111192  0.416692  1
  Mg  Mg146  1  0.555629  0.111245  0.750080  1
  Mg  Mg147  1  0.388857  0.277744  0.083525  1
  Mg  Mg148  1  0.388857  0.277744  0.416635  1
  Mg  Mg149  1  0.388929  0.277847  0.750080  1
  Mg  Mg150  1  0.222276  0.444539  0.083464  1
  Mg  Mg151  1  0.222276  0.444539  0.416697  1
  Mg  Mg152  1  0.222315  0.444573  0.750080  1
  Mg  Mg153  1  0.055687  0.611502  0.083454  1
  Mg  Mg154  1  0.055687  0.611502  0.416706  1
  Mg  Mg155  1  0.055684  0.611338  0.750080  1
  Mg  Mg156  1  0.888878  0.777773  0.083381  1
  Mg  Mg157  1  0.888878  0.777773  0.416779  1
  Mg  Mg158  1  0.889034  0.777816  0.750080  1
  Mg  Mg159  1  0.722153  0.944520  0.083396  1
  Mg  Mg160  1  0.722153  0.944520  0.416764  1
  Mg  Mg161  1  0.722195  0.944655  0.750080  1
  Mg  Mg162  1  0.756201  0.111010  0.083731  1
  Mg  Mg163  1  0.756201  0.111010  0.416429  1
  Mg  Mg164  1  0.755737  0.111221  0.750080  1
  Mg  Mg165  1  0.589198  0.277724  0.083526  1
  Mg  Mg166  1  0.589198  0.277724  0.416635  1
  Mg  Mg167  1  0.589052  0.277833  0.750080  1
  Mg  Mg168  1  0.422293  0.444515  0.083467  1
  Mg  Mg169  1  0.422293  0.444515  0.416693  1
  Mg  Mg170  1  0.422298  0.444543  0.750080  1
  Mg  Mg171  1  0.255541  0.611501  0.083514  1
  Mg  Mg172  1  0.255541  0.611501  0.416646  1
  Mg  Mg173  1  0.255605  0.611348  0.750080  1
  Mg  Mg174  1  0.088818  0.778528  0.083728  1
  Mg  Mg175  1  0.088818  0.778528  0.416432  1
  Mg  Mg176  1  0.088976  0.778059  0.750080  1
  Mg  Mg177  1  0.921267  0.943858  0.082156  1
  Mg  Mg178  1  0.921267  0.943858  0.418005  1
  Mg  Mg179  1  0.922391  0.944662  0.750080  1
