# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.98172974
_cell_length_b   17.79650106
_cell_length_c   15.65681127
_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   4155.87770439
_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  0.077778  0.055555  0.583111  1
  Mg  Mg2  1  0.077778  0.055555  0.916890  1
  Mg  Mg3  1  0.912665  0.220938  0.250001  1
  Mg  Mg4  1  0.911189  0.222021  0.583071  1
  Mg  Mg5  1  0.911189  0.222021  0.916931  1
  Mg  Mg6  1  0.744867  0.388471  0.250001  1
  Mg  Mg7  1  0.744512  0.388801  0.583267  1
  Mg  Mg8  1  0.744512  0.388801  0.916735  1
  Mg  Mg9  1  0.577781  0.555559  0.250001  1
  Mg  Mg10  1  0.577772  0.555551  0.583312  1
  Mg  Mg11  1  0.577772  0.555551  0.916689  1
  Mg  Mg12  1  0.410695  0.722644  0.250001  1
  Mg  Mg13  1  0.411019  0.722293  0.583268  1
  Mg  Mg14  1  0.411019  0.722293  0.916734  1
  Mg  Mg15  1  0.243205  0.890398  0.250001  1
  Mg  Mg16  1  0.244224  0.888987  0.583071  1
  Mg  Mg17  1  0.244224  0.888987  0.916931  1
  Mg  Mg18  1  0.276208  0.055330  0.250001  1
  Mg  Mg19  1  0.277558  0.055658  0.583071  1
  Mg  Mg20  1  0.277558  0.055658  0.916931  1
  Mg  Mg21  1  0.110584  0.220937  0.250001  1
  Mg  Mg22  1  0.111194  0.222021  0.583071  1
  Mg  Mg23  1  0.111194  0.222021  0.916931  1
  Mg  Mg24  1  0.944556  0.388631  0.250001  1
  Mg  Mg25  1  0.944435  0.388912  0.583488  1
  Mg  Mg26  1  0.944435  0.388912  0.916514  1
  Mg  Mg27  1  0.777821  0.555474  0.250001  1
  Mg  Mg28  1  0.777766  0.555563  0.583348  1
  Mg  Mg29  1  0.777766  0.555563  0.916654  1
  Mg  Mg30  1  0.611024  0.722274  0.250001  1
  Mg  Mg31  1  0.611118  0.722211  0.583347  1
  Mg  Mg32  1  0.611118  0.722211  0.916654  1
  Mg  Mg33  1  0.444158  0.889031  0.250001  1
  Mg  Mg34  1  0.444465  0.888877  0.583491  1
  Mg  Mg35  1  0.444465  0.888877  0.916511  1
  Mg  Mg36  1  0.477391  0.055550  0.250001  1
  Mg  Mg37  1  0.477692  0.055578  0.583257  1
  Mg  Mg38  1  0.477692  0.055578  0.916745  1
  Mg  Mg39  1  0.310823  0.221993  0.250001  1
  Mg  Mg40  1  0.311107  0.222219  0.583276  1
  Mg  Mg41  1  0.311107  0.222219  0.916726  1
  Mg  Mg42  1  0.144348  0.388473  0.250001  1
  Mg  Mg43  1  0.144447  0.388799  0.583268  1
  Mg  Mg44  1  0.144447  0.388799  0.916734  1
  Mg  Mg45  1  0.977829  0.555569  0.250001  1
  Mg  Mg46  1  0.977789  0.555582  0.583331  1
  Mg  Mg47  1  0.977789  0.555582  0.916671  1
  Mg  Mg48  1  0.811161  0.722273  0.250001  1
  Mg  Mg49  1  0.811111  0.722212  0.583346  1
  Mg  Mg50  1  0.811111  0.722212  0.916655  1
  Mg  Mg51  1  0.644412  0.888971  0.250001  1
  Mg  Mg52  1  0.644444  0.888890  0.583349  1
  Mg  Mg53  1  0.644444  0.888890  0.916653  1
  Mg  Mg54  1  0.678168  0.055550  0.250001  1
  Mg  Mg55  1  0.677845  0.055578  0.583257  1
  Mg  Mg56  1  0.677845  0.055578  0.916745  1
  Mg  Mg57  1  0.511143  0.222141  0.250001  1
  Mg  Mg58  1  0.511114  0.222214  0.583313  1
  Mg  Mg59  1  0.511114  0.222214  0.916689  1
  Mg  Mg60  1  0.344395  0.388817  0.250001  1
  Mg  Mg61  1  0.344440  0.388891  0.583325  1
  Mg  Mg62  1  0.344440  0.388891  0.916677  1
  Mg  Mg63  1  0.177728  0.555565  0.250001  1
  Mg  Mg64  1  0.177774  0.555538  0.583313  1
  Mg  Mg65  1  0.177774  0.555538  0.916689  1
  Mg  Mg66  1  0.011198  0.722642  0.250001  1
  Mg  Mg67  1  0.011147  0.722297  0.583270  1
  Mg  Mg68  1  0.011147  0.722297  0.916731  1
  Mg  Mg69  1  0.844617  0.889031  0.250001  1
  Mg  Mg70  1  0.844433  0.888877  0.583491  1
  Mg  Mg71  1  0.844433  0.888877  0.916510  1
  Mg  Mg72  1  0.879527  0.055330  0.250001  1
  Mg  Mg73  1  0.877915  0.055658  0.583071  1
  Mg  Mg74  1  0.877915  0.055658  0.916931  1
  Mg  Mg75  1  0.711582  0.221993  0.250001  1
  Mg  Mg76  1  0.711117  0.222219  0.583276  1
  Mg  Mg77  1  0.711117  0.222219  0.916726  1
  Mg  Mg78  1  0.544550  0.388815  0.250001  1
  Mg  Mg79  1  0.544448  0.388891  0.583325  1
  Mg  Mg80  1  0.544448  0.388891  0.916677  1
  Mg  Mg81  1  0.377712  0.555656  0.250001  1
  Mg  Mg82  1  0.377780  0.555558  0.583324  1
  Mg  Mg83  1  0.377780  0.555558  0.916677  1
  Mg  Mg84  1  0.210931  0.722649  0.250001  1
  Mg  Mg85  1  0.211108  0.722226  0.583275  1
  Mg  Mg86  1  0.211108  0.722226  0.916727  1
  Mg  Mg87  1  0.044476  0.890398  0.250001  1
  Mg  Mg88  1  0.044586  0.888986  0.583070  1
  Mg  Mg89  1  0.044586  0.888986  0.916931  1
  Mg  Mg90  1  0.956562  0.110653  0.084695  1
  Mg  Mg91  1  0.956562  0.110653  0.415307  1
  Mg  Mg92  1  0.955599  0.111091  0.750001  1
  Mg  Mg93  1  0.789237  0.277542  0.083494  1
  Mg  Mg94  1  0.789237  0.277542  0.416507  1
  Mg  Mg95  1  0.788983  0.277734  0.750001  1
  Mg  Mg96  1  0.622309  0.444367  0.083385  1
  Mg  Mg97  1  0.622309  0.444367  0.416617  1
  Mg  Mg98  1  0.622243  0.444428  0.750001  1
  Mg  Mg99  1  0.455480  0.611197  0.083385  1
  Mg  Mg100  1  0.455480  0.611197  0.416617  1
  Mg  Mg101  1  0.455541  0.611131  0.750001  1
  Mg  Mg102  1  0.288671  0.778107  0.083494  1
  Mg  Mg103  1  0.288671  0.778107  0.416508  1
  Mg  Mg104  1  0.288854  0.777864  0.750001  1
  Mg  Mg105  1  0.121856  0.945359  0.084695  1
  Mg  Mg106  1  0.121856  0.945359  0.415307  1
  Mg  Mg107  1  0.122206  0.944485  0.750001  1
  Mg  Mg108  1  0.154915  0.110653  0.084695  1
  Mg  Mg109  1  0.154915  0.110653  0.415307  1
  Mg  Mg110  1  0.155528  0.111091  0.750001  1
  Mg  Mg111  1  0.988661  0.278348  0.082913  1
  Mg  Mg112  1  0.988661  0.278348  0.417088  1
  Mg  Mg113  1  0.988932  0.277669  0.750001  1
  Mg  Mg114  1  0.822151  0.444528  0.083328  1
  Mg  Mg115  1  0.822151  0.444528  0.416674  1
  Mg  Mg116  1  0.822183  0.444456  0.750001  1
  Mg  Mg117  1  0.655548  0.611106  0.083337  1
  Mg  Mg118  1  0.655548  0.611106  0.416665  1
  Mg  Mg119  1  0.655555  0.611111  0.750001  1
  Mg  Mg120  1  0.488977  0.777702  0.083328  1
  Mg  Mg121  1  0.488977  0.777702  0.416674  1
  Mg  Mg122  1  0.488897  0.777743  0.750001  1
  Mg  Mg123  1  0.322843  0.944158  0.082912  1
  Mg  Mg124  1  0.322843  0.944158  0.417089  1
  Mg  Mg125  1  0.322104  0.944498  0.750001  1
  Mg  Mg126  1  0.355270  0.111017  0.083501  1
  Mg  Mg127  1  0.355270  0.111017  0.416500  1
  Mg  Mg128  1  0.355496  0.111068  0.750001  1
  Mg  Mg129  1  0.188730  0.277541  0.083494  1
  Mg  Mg130  1  0.188730  0.277541  0.416508  1
  Mg  Mg131  1  0.188829  0.277735  0.750001  1
  Mg  Mg132  1  0.022223  0.444552  0.083336  1
  Mg  Mg133  1  0.022223  0.444552  0.416666  1
  Mg  Mg134  1  0.022252  0.444457  0.750001  1
  Mg  Mg135  1  0.855548  0.611108  0.083338  1
  Mg  Mg136  1  0.855548  0.611108  0.416663  1
  Mg  Mg137  1  0.855553  0.611103  0.750001  1
  Mg  Mg138  1  0.688898  0.777756  0.083340  1
  Mg  Mg139  1  0.688898  0.777756  0.416662  1
  Mg  Mg140  1  0.688890  0.777776  0.750001  1
  Mg  Mg141  1  0.522297  0.944429  0.083330  1
  Mg  Mg142  1  0.522297  0.944429  0.416672  1
  Mg  Mg143  1  0.522230  0.944468  0.750001  1
  Mg  Mg144  1  0.555561  0.111097  0.083422  1
  Mg  Mg145  1  0.555561  0.111097  0.416580  1
  Mg  Mg146  1  0.555558  0.111104  0.750001  1
  Mg  Mg147  1  0.388819  0.277703  0.083390  1
  Mg  Mg148  1  0.388819  0.277703  0.416611  1
  Mg  Mg149  1  0.388873  0.277764  0.750001  1
  Mg  Mg150  1  0.222189  0.444374  0.083385  1
  Mg  Mg151  1  0.222189  0.444374  0.416617  1
  Mg  Mg152  1  0.222215  0.444428  0.750001  1
  Mg  Mg153  1  0.055574  0.611235  0.083379  1
  Mg  Mg154  1  0.055574  0.611235  0.416622  1
  Mg  Mg155  1  0.055558  0.611139  0.750001  1
  Mg  Mg156  1  0.888858  0.777703  0.083328  1
  Mg  Mg157  1  0.888858  0.777703  0.416674  1
  Mg  Mg158  1  0.888908  0.777743  0.750001  1
  Mg  Mg159  1  0.722159  0.944430  0.083330  1
  Mg  Mg160  1  0.722159  0.944430  0.416672  1
  Mg  Mg161  1  0.722195  0.944468  0.750001  1
  Mg  Mg162  1  0.755916  0.111017  0.083501  1
  Mg  Mg163  1  0.755916  0.111017  0.416500  1
  Mg  Mg164  1  0.755649  0.111067  0.750001  1
  Mg  Mg165  1  0.589018  0.277702  0.083390  1
  Mg  Mg166  1  0.589018  0.277702  0.416611  1
  Mg  Mg167  1  0.588916  0.277764  0.750001  1
  Mg  Mg168  1  0.422222  0.444441  0.083355  1
  Mg  Mg169  1  0.422222  0.444441  0.416647  1
  Mg  Mg170  1  0.422223  0.444445  0.750001  1
  Mg  Mg171  1  0.255498  0.611231  0.083391  1
  Mg  Mg172  1  0.255498  0.611231  0.416611  1
  Mg  Mg173  1  0.255545  0.611135  0.750001  1
  Mg  Mg174  1  0.088843  0.778111  0.083493  1
  Mg  Mg175  1  0.088843  0.778111  0.416508  1
  Mg  Mg176  1  0.088854  0.777863  0.750001  1
  Mg  Mg177  1  0.921829  0.944159  0.082912  1
  Mg  Mg178  1  0.921829  0.944159  0.417089  1
  Mg  Mg179  1  0.922297  0.944498  0.750001  1
