# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.92658932
_cell_length_b   17.73515266
_cell_length_c   15.55598064
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.94827557
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg179
_cell_volume   4100.68247112
_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  0.077777  0.055560  0.584116  1
  Mg  Mg2  1  0.077777  0.055560  0.915882  1
  Mg  Mg3  1  0.910210  0.223204  0.249999  1
  Mg  Mg4  1  0.911188  0.222217  0.583263  1
  Mg  Mg5  1  0.911188  0.222217  0.916735  1
  Mg  Mg6  1  0.744332  0.388993  0.249999  1
  Mg  Mg7  1  0.744472  0.388843  0.583315  1
  Mg  Mg8  1  0.744472  0.388843  0.916682  1
  Mg  Mg9  1  0.577771  0.555536  0.249999  1
  Mg  Mg10  1  0.577771  0.555538  0.583329  1
  Mg  Mg11  1  0.577771  0.555538  0.916668  1
  Mg  Mg12  1  0.411232  0.722098  0.249999  1
  Mg  Mg13  1  0.411077  0.722242  0.583315  1
  Mg  Mg14  1  0.411077  0.722242  0.916682  1
  Mg  Mg15  1  0.245449  0.887975  0.249999  1
  Mg  Mg16  1  0.244448  0.888955  0.583263  1
  Mg  Mg17  1  0.244448  0.888955  0.916735  1
  Mg  Mg18  1  0.278922  0.055485  0.249999  1
  Mg  Mg19  1  0.277759  0.055491  0.583264  1
  Mg  Mg20  1  0.277759  0.055491  0.916734  1
  Mg  Mg21  1  0.111221  0.223237  0.249999  1
  Mg  Mg22  1  0.111037  0.222223  0.583263  1
  Mg  Mg23  1  0.111037  0.222223  0.916735  1
  Mg  Mg24  1  0.944410  0.388952  0.249999  1
  Mg  Mg25  1  0.944409  0.388988  0.583451  1
  Mg  Mg26  1  0.944409  0.388988  0.916547  1
  Mg  Mg27  1  0.777758  0.555547  0.249999  1
  Mg  Mg28  1  0.777764  0.555546  0.583330  1
  Mg  Mg29  1  0.777764  0.555546  0.916668  1
  Mg  Mg30  1  0.611120  0.722198  0.249999  1
  Mg  Mg31  1  0.611116  0.722200  0.583326  1
  Mg  Mg32  1  0.611116  0.722200  0.916672  1
  Mg  Mg33  1  0.444516  0.888835  0.249999  1
  Mg  Mg34  1  0.444539  0.888832  0.583450  1
  Mg  Mg35  1  0.444539  0.888832  0.916548  1
  Mg  Mg36  1  0.477859  0.055533  0.249999  1
  Mg  Mg37  1  0.477748  0.055544  0.583310  1
  Mg  Mg38  1  0.477748  0.055544  0.916688  1
  Mg  Mg39  1  0.311085  0.222206  0.249999  1
  Mg  Mg40  1  0.311074  0.222186  0.583317  1
  Mg  Mg41  1  0.311074  0.222186  0.916680  1
  Mg  Mg42  1  0.144465  0.389042  0.249999  1
  Mg  Mg43  1  0.144441  0.388867  0.583314  1
  Mg  Mg44  1  0.144441  0.388867  0.916684  1
  Mg  Mg45  1  0.977771  0.555514  0.249999  1
  Mg  Mg46  1  0.977787  0.555584  0.583325  1
  Mg  Mg47  1  0.977787  0.555584  0.916672  1
  Mg  Mg48  1  0.811105  0.722188  0.249999  1
  Mg  Mg49  1  0.811106  0.722197  0.583322  1
  Mg  Mg50  1  0.811106  0.722197  0.916676  1
  Mg  Mg51  1  0.644442  0.888876  0.249999  1
  Mg  Mg52  1  0.644440  0.888880  0.583321  1
  Mg  Mg53  1  0.644440  0.888880  0.916677  1
  Mg  Mg54  1  0.677697  0.055532  0.249999  1
  Mg  Mg55  1  0.677802  0.055544  0.583310  1
  Mg  Mg56  1  0.677802  0.055544  0.916688  1
  Mg  Mg57  1  0.511114  0.222192  0.249999  1
  Mg  Mg58  1  0.511113  0.222197  0.583311  1
  Mg  Mg59  1  0.511113  0.222197  0.916687  1
  Mg  Mg60  1  0.344436  0.388878  0.249999  1
  Mg  Mg61  1  0.344437  0.388861  0.583319  1
  Mg  Mg62  1  0.344437  0.388861  0.916679  1
  Mg  Mg63  1  0.177787  0.555642  0.249999  1
  Mg  Mg64  1  0.177777  0.555574  0.583320  1
  Mg  Mg65  1  0.177777  0.555574  0.916677  1
  Mg  Mg66  1  0.011068  0.722107  0.249999  1
  Mg  Mg67  1  0.011117  0.722267  0.583314  1
  Mg  Mg68  1  0.011117  0.722267  0.916684  1
  Mg  Mg69  1  0.844400  0.888832  0.249999  1
  Mg  Mg70  1  0.844381  0.888834  0.583449  1
  Mg  Mg71  1  0.844381  0.888834  0.916548  1
  Mg  Mg72  1  0.876682  0.055471  0.249999  1
  Mg  Mg73  1  0.877841  0.055489  0.583264  1
  Mg  Mg74  1  0.877841  0.055489  0.916734  1
  Mg  Mg75  1  0.711147  0.222193  0.249999  1
  Mg  Mg76  1  0.711168  0.222179  0.583318  1
  Mg  Mg77  1  0.711168  0.222179  0.916680  1
  Mg  Mg78  1  0.544451  0.388862  0.249999  1
  Mg  Mg79  1  0.544457  0.388853  0.583321  1
  Mg  Mg80  1  0.544457  0.388853  0.916676  1
  Mg  Mg81  1  0.377773  0.555554  0.249999  1
  Mg  Mg82  1  0.377760  0.555557  0.583324  1
  Mg  Mg83  1  0.377760  0.555557  0.916673  1
  Mg  Mg84  1  0.211103  0.722278  0.249999  1
  Mg  Mg85  1  0.211086  0.722283  0.583319  1
  Mg  Mg86  1  0.211086  0.722283  0.916678  1
  Mg  Mg87  1  0.044171  0.887965  0.249999  1
  Mg  Mg88  1  0.044384  0.888962  0.583262  1
  Mg  Mg89  1  0.044384  0.888962  0.916735  1
  Mg  Mg90  1  0.955006  0.111359  0.082417  1
  Mg  Mg91  1  0.955006  0.111359  0.417581  1
  Mg  Mg92  1  0.955395  0.111181  0.749999  1
  Mg  Mg93  1  0.788895  0.277772  0.083351  1
  Mg  Mg94  1  0.788895  0.277772  0.416647  1
  Mg  Mg95  1  0.788920  0.277756  0.749999  1
  Mg  Mg96  1  0.622221  0.444420  0.083334  1
  Mg  Mg97  1  0.622221  0.444420  0.416663  1
  Mg  Mg98  1  0.622224  0.444423  0.749999  1
  Mg  Mg99  1  0.455547  0.611099  0.083334  1
  Mg  Mg100  1  0.455547  0.611099  0.416664  1
  Mg  Mg101  1  0.455546  0.611105  0.749999  1
  Mg  Mg102  1  0.288901  0.777789  0.083349  1
  Mg  Mg103  1  0.288901  0.777789  0.416649  1
  Mg  Mg104  1  0.288882  0.777808  0.749999  1
  Mg  Mg105  1  0.122420  0.943953  0.082422  1
  Mg  Mg106  1  0.122420  0.943953  0.417576  1
  Mg  Mg107  1  0.122278  0.944304  0.749999  1
  Mg  Mg108  1  0.155900  0.111372  0.082418  1
  Mg  Mg109  1  0.155900  0.111372  0.417579  1
  Mg  Mg110  1  0.155655  0.111186  0.749999  1
  Mg  Mg111  1  0.988678  0.278306  0.082981  1
  Mg  Mg112  1  0.988678  0.278306  0.417017  1
  Mg  Mg113  1  0.988890  0.277775  0.749999  1
  Mg  Mg114  1  0.822163  0.444484  0.083334  1
  Mg  Mg115  1  0.822163  0.444484  0.416664  1
  Mg  Mg116  1  0.822188  0.444447  0.749999  1
  Mg  Mg117  1  0.655546  0.611092  0.083337  1
  Mg  Mg118  1  0.655546  0.611092  0.416660  1
  Mg  Mg119  1  0.655550  0.611098  0.749999  1
  Mg  Mg120  1  0.488945  0.777709  0.083335  1
  Mg  Mg121  1  0.488945  0.777709  0.416663  1
  Mg  Mg122  1  0.488898  0.777738  0.749999  1
  Mg  Mg123  1  0.322789  0.944181  0.082982  1
  Mg  Mg124  1  0.322789  0.944181  0.417016  1
  Mg  Mg125  1  0.322213  0.944443  0.749999  1
  Mg  Mg126  1  0.355554  0.111092  0.083348  1
  Mg  Mg127  1  0.355554  0.111092  0.416649  1
  Mg  Mg128  1  0.355542  0.111082  0.749999  1
  Mg  Mg129  1  0.188874  0.277800  0.083352  1
  Mg  Mg130  1  0.188874  0.277800  0.416646  1
  Mg  Mg131  1  0.188862  0.277771  0.749999  1
  Mg  Mg132  1  0.022233  0.444513  0.083330  1
  Mg  Mg133  1  0.022233  0.444513  0.416668  1
  Mg  Mg134  1  0.022243  0.444468  0.749999  1
  Mg  Mg135  1  0.855550  0.611071  0.083340  1
  Mg  Mg136  1  0.855550  0.611071  0.416658  1
  Mg  Mg137  1  0.855553  0.611101  0.749999  1
  Mg  Mg138  1  0.688886  0.777763  0.083342  1
  Mg  Mg139  1  0.688886  0.777763  0.416656  1
  Mg  Mg140  1  0.688887  0.777765  0.749999  1
  Mg  Mg141  1  0.522265  0.944428  0.083339  1
  Mg  Mg142  1  0.522265  0.944428  0.416659  1
  Mg  Mg143  1  0.522238  0.944449  0.749999  1
  Mg  Mg144  1  0.555556  0.111089  0.083350  1
  Mg  Mg145  1  0.555556  0.111089  0.416648  1
  Mg  Mg146  1  0.555554  0.111097  0.749999  1
  Mg  Mg147  1  0.388859  0.277735  0.083361  1
  Mg  Mg148  1  0.388859  0.277735  0.416637  1
  Mg  Mg149  1  0.388878  0.277752  0.749999  1
  Mg  Mg150  1  0.222221  0.444468  0.083343  1
  Mg  Mg151  1  0.222221  0.444468  0.416655  1
  Mg  Mg152  1  0.222221  0.444446  0.749999  1
  Mg  Mg153  1  0.055561  0.611148  0.083343  1
  Mg  Mg154  1  0.055561  0.611148  0.416655  1
  Mg  Mg155  1  0.055558  0.611129  0.749999  1
  Mg  Mg156  1  0.888867  0.777706  0.083335  1
  Mg  Mg157  1  0.888867  0.777706  0.416663  1
  Mg  Mg158  1  0.888896  0.777741  0.749999  1
  Mg  Mg159  1  0.722177  0.944427  0.083339  1
  Mg  Mg160  1  0.722177  0.944427  0.416659  1
  Mg  Mg161  1  0.722190  0.944449  0.749999  1
  Mg  Mg162  1  0.755565  0.111083  0.083348  1
  Mg  Mg163  1  0.755565  0.111083  0.416649  1
  Mg  Mg164  1  0.755583  0.111077  0.749999  1
  Mg  Mg165  1  0.588940  0.277727  0.083361  1
  Mg  Mg166  1  0.588940  0.277727  0.416637  1
  Mg  Mg167  1  0.588909  0.277747  0.749999  1
  Mg  Mg168  1  0.422218  0.444423  0.083340  1
  Mg  Mg169  1  0.422218  0.444423  0.416658  1
  Mg  Mg170  1  0.422219  0.444427  0.749999  1
  Mg  Mg171  1  0.255538  0.611181  0.083351  1
  Mg  Mg172  1  0.255538  0.611181  0.416646  1
  Mg  Mg173  1  0.255543  0.611137  0.749999  1
  Mg  Mg174  1  0.088871  0.777799  0.083352  1
  Mg  Mg175  1  0.088871  0.777799  0.416646  1
  Mg  Mg176  1  0.088868  0.777816  0.749999  1
  Mg  Mg177  1  0.921859  0.944174  0.082982  1
  Mg  Mg178  1  0.921859  0.944174  0.417015  1
  Mg  Mg179  1  0.922224  0.944443  0.749999  1
