# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.92237423
_cell_length_b   17.73047279
_cell_length_c   15.55488160
_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   4098.22585214
_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  0.077756  0.055527  0.584202  1
  Mg  Mg2  1  0.077756  0.055527  0.915695  1
  Mg  Mg3  1  0.909411  0.224019  0.249948  1
  Mg  Mg4  1  0.911167  0.222245  0.583306  1
  Mg  Mg5  1  0.911167  0.222245  0.916590  1
  Mg  Mg6  1  0.744151  0.389107  0.249948  1
  Mg  Mg7  1  0.744455  0.388801  0.583254  1
  Mg  Mg8  1  0.744455  0.388801  0.916642  1
  Mg  Mg9  1  0.577746  0.555493  0.249948  1
  Mg  Mg10  1  0.577747  0.555496  0.583284  1
  Mg  Mg11  1  0.577747  0.555496  0.916612  1
  Mg  Mg12  1  0.411367  0.721903  0.249948  1
  Mg  Mg13  1  0.411058  0.722208  0.583255  1
  Mg  Mg14  1  0.411058  0.722208  0.916642  1
  Mg  Mg15  1  0.246300  0.887159  0.249948  1
  Mg  Mg16  1  0.244500  0.888912  0.583306  1
  Mg  Mg17  1  0.244500  0.888912  0.916590  1
  Mg  Mg18  1  0.279886  0.055390  0.249948  1
  Mg  Mg19  1  0.277801  0.055403  0.583308  1
  Mg  Mg20  1  0.277801  0.055403  0.916589  1
  Mg  Mg21  1  0.111290  0.224088  0.249948  1
  Mg  Mg22  1  0.110964  0.222259  0.583306  1
  Mg  Mg23  1  0.110964  0.222259  0.916591  1
  Mg  Mg24  1  0.944346  0.388982  0.249948  1
  Mg  Mg25  1  0.944348  0.389050  0.583494  1
  Mg  Mg26  1  0.944348  0.389050  0.916402  1
  Mg  Mg27  1  0.777715  0.555511  0.249948  1
  Mg  Mg28  1  0.777732  0.555503  0.583265  1
  Mg  Mg29  1  0.777732  0.555503  0.916632  1
  Mg  Mg30  1  0.611109  0.722144  0.249948  1
  Mg  Mg31  1  0.611101  0.722154  0.583258  1
  Mg  Mg32  1  0.611101  0.722154  0.916639  1
  Mg  Mg33  1  0.444576  0.888752  0.249948  1
  Mg  Mg34  1  0.444619  0.888745  0.583491  1
  Mg  Mg35  1  0.444619  0.888745  0.916405  1
  Mg  Mg36  1  0.477954  0.055495  0.249948  1
  Mg  Mg37  1  0.477724  0.055500  0.583247  1
  Mg  Mg38  1  0.477724  0.055500  0.916649  1
  Mg  Mg39  1  0.311057  0.222178  0.249948  1
  Mg  Mg40  1  0.311030  0.222137  0.583263  1
  Mg  Mg41  1  0.311030  0.222137  0.916633  1
  Mg  Mg42  1  0.144482  0.389197  0.249948  1
  Mg  Mg43  1  0.144416  0.388841  0.583251  1
  Mg  Mg44  1  0.144416  0.388841  0.916645  1
  Mg  Mg45  1  0.977741  0.555419  0.249948  1
  Mg  Mg46  1  0.977771  0.555557  0.583260  1
  Mg  Mg47  1  0.977771  0.555557  0.916636  1
  Mg  Mg48  1  0.811080  0.722120  0.249948  1
  Mg  Mg49  1  0.811081  0.722139  0.583252  1
  Mg  Mg50  1  0.811081  0.722139  0.916645  1
  Mg  Mg51  1  0.644420  0.888836  0.249948  1
  Mg  Mg52  1  0.644417  0.888845  0.583236  1
  Mg  Mg53  1  0.644417  0.888845  0.916661  1
  Mg  Mg54  1  0.677557  0.055491  0.249948  1
  Mg  Mg55  1  0.677787  0.055498  0.583247  1
  Mg  Mg56  1  0.677787  0.055498  0.916649  1
  Mg  Mg57  1  0.511092  0.222151  0.249948  1
  Mg  Mg58  1  0.511091  0.222156  0.583248  1
  Mg  Mg59  1  0.511091  0.222156  0.916649  1
  Mg  Mg60  1  0.344412  0.388849  0.249948  1
  Mg  Mg61  1  0.344414  0.388817  0.583261  1
  Mg  Mg62  1  0.344414  0.388817  0.916635  1
  Mg  Mg63  1  0.177783  0.555692  0.249948  1
  Mg  Mg64  1  0.177760  0.555555  0.583267  1
  Mg  Mg65  1  0.177760  0.555555  0.916630  1
  Mg  Mg66  1  0.011005  0.721899  0.249948  1
  Mg  Mg67  1  0.011090  0.722241  0.583252  1
  Mg  Mg68  1  0.011090  0.722241  0.916645  1
  Mg  Mg69  1  0.844329  0.888739  0.249948  1
  Mg  Mg70  1  0.844295  0.888742  0.583492  1
  Mg  Mg71  1  0.844295  0.888742  0.916405  1
  Mg  Mg72  1  0.875727  0.055357  0.249948  1
  Mg  Mg73  1  0.877798  0.055394  0.583308  1
  Mg  Mg74  1  0.877798  0.055394  0.916588  1
  Mg  Mg75  1  0.711131  0.222153  0.249948  1
  Mg  Mg76  1  0.711179  0.222123  0.583263  1
  Mg  Mg77  1  0.711179  0.222123  0.916633  1
  Mg  Mg78  1  0.544428  0.388823  0.249948  1
  Mg  Mg79  1  0.544440  0.388804  0.583266  1
  Mg  Mg80  1  0.544440  0.388804  0.916631  1
  Mg  Mg81  1  0.377757  0.555515  0.249948  1
  Mg  Mg82  1  0.377732  0.555523  0.583271  1
  Mg  Mg83  1  0.377732  0.555523  0.916625  1
  Mg  Mg84  1  0.211088  0.722272  0.249948  1
  Mg  Mg85  1  0.211052  0.722286  0.583267  1
  Mg  Mg86  1  0.211052  0.722286  0.916630  1
  Mg  Mg87  1  0.043908  0.887125  0.249948  1
  Mg  Mg88  1  0.044297  0.888918  0.583305  1
  Mg  Mg89  1  0.044297  0.888918  0.916592  1
  Mg  Mg90  1  0.954379  0.111597  0.081525  1
  Mg  Mg91  1  0.954379  0.111597  0.418371  1
  Mg  Mg92  1  0.955342  0.111159  0.749948  1
  Mg  Mg93  1  0.788833  0.277770  0.083285  1
  Mg  Mg94  1  0.788833  0.277770  0.416612  1
  Mg  Mg95  1  0.788869  0.277739  0.749948  1
  Mg  Mg96  1  0.622185  0.444389  0.083280  1
  Mg  Mg97  1  0.622185  0.444389  0.416616  1
  Mg  Mg98  1  0.622199  0.444383  0.749948  1
  Mg  Mg99  1  0.455534  0.611044  0.083279  1
  Mg  Mg100  1  0.455534  0.611044  0.416617  1
  Mg  Mg101  1  0.455525  0.611064  0.749948  1
  Mg  Mg102  1  0.288923  0.777722  0.083281  1
  Mg  Mg103  1  0.288923  0.777722  0.416615  1
  Mg  Mg104  1  0.288884  0.777746  0.749948  1
  Mg  Mg105  1  0.122619  0.943370  0.081535  1
  Mg  Mg106  1  0.122619  0.943370  0.418362  1
  Mg  Mg107  1  0.122268  0.944243  0.749948  1
  Mg  Mg108  1  0.156262  0.111624  0.081528  1
  Mg  Mg109  1  0.156262  0.111624  0.418368  1
  Mg  Mg110  1  0.155652  0.111168  0.749948  1
  Mg  Mg111  1  0.988502  0.278657  0.082608  1
  Mg  Mg112  1  0.988502  0.278657  0.417288  1
  Mg  Mg113  1  0.988848  0.277790  0.749948  1
  Mg  Mg114  1  0.822111  0.444448  0.083304  1
  Mg  Mg115  1  0.822111  0.444448  0.416592  1
  Mg  Mg116  1  0.822127  0.444435  0.749948  1
  Mg  Mg117  1  0.655519  0.611049  0.083292  1
  Mg  Mg118  1  0.655519  0.611049  0.416604  1
  Mg  Mg119  1  0.655530  0.611060  0.749948  1
  Mg  Mg120  1  0.488932  0.777642  0.083306  1
  Mg  Mg121  1  0.488932  0.777642  0.416591  1
  Mg  Mg122  1  0.488906  0.777662  0.749948  1
  Mg  Mg123  1  0.323185  0.943956  0.082610  1
  Mg  Mg124  1  0.323185  0.943956  0.417287  1
  Mg  Mg125  1  0.322243  0.944383  0.749948  1
  Mg  Mg126  1  0.355567  0.111058  0.083280  1
  Mg  Mg127  1  0.355567  0.111058  0.416617  1
  Mg  Mg128  1  0.355548  0.111050  0.749948  1
  Mg  Mg129  1  0.188862  0.277820  0.083287  1
  Mg  Mg130  1  0.188862  0.277820  0.416610  1
  Mg  Mg131  1  0.188851  0.277764  0.749948  1
  Mg  Mg132  1  0.022233  0.444485  0.083295  1
  Mg  Mg133  1  0.022233  0.444485  0.416601  1
  Mg  Mg134  1  0.022236  0.444467  0.749948  1
  Mg  Mg135  1  0.855528  0.610998  0.083298  1
  Mg  Mg136  1  0.855528  0.610998  0.416599  1
  Mg  Mg137  1  0.855528  0.611055  0.749948  1
  Mg  Mg138  1  0.688862  0.777728  0.083304  1
  Mg  Mg139  1  0.688862  0.777728  0.416592  1
  Mg  Mg140  1  0.688864  0.777726  0.749948  1
  Mg  Mg141  1  0.522241  0.944402  0.083315  1
  Mg  Mg142  1  0.522241  0.944402  0.416581  1
  Mg  Mg143  1  0.522251  0.944414  0.749948  1
  Mg  Mg144  1  0.555535  0.111047  0.083307  1
  Mg  Mg145  1  0.555535  0.111047  0.416589  1
  Mg  Mg146  1  0.555532  0.111060  0.749948  1
  Mg  Mg147  1  0.388817  0.277678  0.083332  1
  Mg  Mg148  1  0.388817  0.277678  0.416564  1
  Mg  Mg149  1  0.388856  0.277713  0.749948  1
  Mg  Mg150  1  0.222206  0.444471  0.083297  1
  Mg  Mg151  1  0.222206  0.444471  0.416600  1
  Mg  Mg152  1  0.222202  0.444418  0.749948  1
  Mg  Mg153  1  0.055542  0.611113  0.083299  1
  Mg  Mg154  1  0.055542  0.611113  0.416598  1
  Mg  Mg155  1  0.055537  0.611099  0.749948  1
  Mg  Mg156  1  0.888852  0.777631  0.083306  1
  Mg  Mg157  1  0.888852  0.777631  0.416591  1
  Mg  Mg158  1  0.888873  0.777662  0.749948  1
  Mg  Mg159  1  0.722146  0.944401  0.083315  1
  Mg  Mg160  1  0.722146  0.944401  0.416582  1
  Mg  Mg161  1  0.722129  0.944413  0.749948  1
  Mg  Mg162  1  0.755508  0.111042  0.083280  1
  Mg  Mg163  1  0.755508  0.111042  0.416616  1
  Mg  Mg164  1  0.755530  0.111042  0.749948  1
  Mg  Mg165  1  0.588954  0.277666  0.083333  1
  Mg  Mg166  1  0.588954  0.277666  0.416564  1
  Mg  Mg167  1  0.588888  0.277705  0.749948  1
  Mg  Mg168  1  0.422196  0.444379  0.083294  1
  Mg  Mg169  1  0.422196  0.444379  0.416602  1
  Mg  Mg170  1  0.422197  0.444387  0.749948  1
  Mg  Mg171  1  0.255510  0.611199  0.083314  1
  Mg  Mg172  1  0.255510  0.611199  0.416582  1
  Mg  Mg173  1  0.255521  0.611109  0.749948  1
  Mg  Mg174  1  0.088841  0.777728  0.083287  1
  Mg  Mg175  1  0.088841  0.777728  0.416610  1
  Mg  Mg176  1  0.088846  0.777757  0.749948  1
  Mg  Mg177  1  0.921573  0.943937  0.082610  1
  Mg  Mg178  1  0.921573  0.943937  0.417286  1
  Mg  Mg179  1  0.922170  0.944379  0.749948  1
