# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.53793424
_cell_length_b   14.07562795
_cell_length_c   46.66907370
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg216
_cell_volume   10863.7114202
_cell_formula_units_Z   216
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  0.056458  0.726230  0.296512  1
  Mg  Mg2  1  0.223276  0.650220  0.320510  1
  Mg  Mg3  1  0.056609  0.150220  0.320510  1
  Mg  Mg4  1  0.389792  0.726230  0.296512  1
  Mg  Mg5  1  0.556609  0.650220  0.320510  1
  Mg  Mg6  1  0.223125  0.226230  0.296512  1
  Mg  Mg7  1  0.389942  0.150220  0.320510  1
  Mg  Mg8  1  0.723125  0.726230  0.296512  1
  Mg  Mg9  1  0.889942  0.650220  0.320510  1
  Mg  Mg10  1  0.556458  0.226230  0.296512  1
  Mg  Mg11  1  0.723276  0.150220  0.320510  1
  Mg  Mg12  1  0.889792  0.226230  0.296512  1
  Mg  Mg13  1  0.111697  0.939029  0.308334  1
  Mg  Mg14  1  0.278367  0.014963  0.284441  1
  Mg  Mg15  1  0.111700  0.514963  0.284441  1
  Mg  Mg16  1  0.445030  0.939029  0.308334  1
  Mg  Mg17  1  0.611700  0.014963  0.284441  1
  Mg  Mg18  1  0.278364  0.439029  0.308334  1
  Mg  Mg19  1  0.445034  0.514963  0.284441  1
  Mg  Mg20  1  0.778364  0.939029  0.308334  1
  Mg  Mg21  1  0.945034  0.014963  0.284441  1
  Mg  Mg22  1  0.611697  0.439029  0.308334  1
  Mg  Mg23  1  0.778367  0.514963  0.284441  1
  Mg  Mg24  1  0.945030  0.439029  0.308334  1
  Mg  Mg25  1  0.056392  0.574150  0.345604  1
  Mg  Mg26  1  0.222730  0.497049  0.369955  1
  Mg  Mg27  1  0.056064  0.997049  0.369955  1
  Mg  Mg28  1  0.389725  0.574150  0.345604  1
  Mg  Mg29  1  0.556064  0.497049  0.369955  1
  Mg  Mg30  1  0.223059  0.074150  0.345604  1
  Mg  Mg31  1  0.389397  0.997049  0.369955  1
  Mg  Mg32  1  0.723059  0.574150  0.345604  1
  Mg  Mg33  1  0.889397  0.497049  0.369955  1
  Mg  Mg34  1  0.556392  0.074150  0.345604  1
  Mg  Mg35  1  0.722730  0.997049  0.369955  1
  Mg  Mg36  1  0.889725  0.074150  0.345604  1
  Mg  Mg37  1  0.111484  0.785399  0.357765  1
  Mg  Mg38  1  0.278012  0.862136  0.332974  1
  Mg  Mg39  1  0.111345  0.362136  0.332974  1
  Mg  Mg40  1  0.444818  0.785399  0.357765  1
  Mg  Mg41  1  0.611345  0.862136  0.332974  1
  Mg  Mg42  1  0.278151  0.285399  0.357765  1
  Mg  Mg43  1  0.444679  0.362136  0.332974  1
  Mg  Mg44  1  0.778151  0.785399  0.357765  1
  Mg  Mg45  1  0.944679  0.862136  0.332974  1
  Mg  Mg46  1  0.611484  0.285399  0.357765  1
  Mg  Mg47  1  0.778012  0.362136  0.332974  1
  Mg  Mg48  1  0.944818  0.285399  0.357765  1
  Mg  Mg49  1  0.055987  0.420500  0.395179  1
  Mg  Mg50  1  0.222600  0.344128  0.420268  1
  Mg  Mg51  1  0.055934  0.844128  0.420268  1
  Mg  Mg52  1  0.389321  0.420500  0.395179  1
  Mg  Mg53  1  0.555934  0.344128  0.420268  1
  Mg  Mg54  1  0.222654  0.920500  0.395179  1
  Mg  Mg55  1  0.389267  0.844128  0.420268  1
  Mg  Mg56  1  0.722654  0.420500  0.395179  1
  Mg  Mg57  1  0.889267  0.344128  0.420268  1
  Mg  Mg58  1  0.555987  0.920500  0.395179  1
  Mg  Mg59  1  0.722600  0.844128  0.420268  1
  Mg  Mg60  1  0.889321  0.920500  0.395179  1
  Mg  Mg61  1  0.111676  0.632331  0.407841  1
  Mg  Mg62  1  0.278143  0.708786  0.382673  1
  Mg  Mg63  1  0.111477  0.208786  0.382673  1
  Mg  Mg64  1  0.445009  0.632331  0.407841  1
  Mg  Mg65  1  0.611477  0.708786  0.382673  1
  Mg  Mg66  1  0.278342  0.132331  0.407841  1
  Mg  Mg67  1  0.444810  0.208786  0.382673  1
  Mg  Mg68  1  0.778342  0.632331  0.407841  1
  Mg  Mg69  1  0.944810  0.708786  0.382673  1
  Mg  Mg70  1  0.611676  0.132331  0.407841  1
  Mg  Mg71  1  0.778143  0.208786  0.382673  1
  Mg  Mg72  1  0.945009  0.132331  0.407841  1
  Mg  Mg73  1  0.055997  0.267556  0.445420  1
  Mg  Mg74  1  0.222602  0.191027  0.470529  1
  Mg  Mg75  1  0.055936  0.691027  0.470529  1
  Mg  Mg76  1  0.389331  0.267556  0.445420  1
  Mg  Mg77  1  0.555936  0.191027  0.470529  1
  Mg  Mg78  1  0.222664  0.767556  0.445420  1
  Mg  Mg79  1  0.389269  0.691027  0.470529  1
  Mg  Mg80  1  0.722664  0.267556  0.445420  1
  Mg  Mg81  1  0.889269  0.191027  0.470529  1
  Mg  Mg82  1  0.555997  0.767556  0.445420  1
  Mg  Mg83  1  0.722602  0.691027  0.470529  1
  Mg  Mg84  1  0.889331  0.767556  0.445420  1
  Mg  Mg85  1  0.111512  0.479230  0.457968  1
  Mg  Mg86  1  0.278204  0.555709  0.432792  1
  Mg  Mg87  1  0.111538  0.055709  0.432792  1
  Mg  Mg88  1  0.444845  0.479230  0.457968  1
  Mg  Mg89  1  0.611538  0.555709  0.432792  1
  Mg  Mg90  1  0.278179  0.979230  0.457968  1
  Mg  Mg91  1  0.444871  0.055709  0.432792  1
  Mg  Mg92  1  0.778179  0.479230  0.457968  1
  Mg  Mg93  1  0.944871  0.555709  0.432792  1
  Mg  Mg94  1  0.611512  0.979230  0.457968  1
  Mg  Mg95  1  0.778204  0.055709  0.432792  1
  Mg  Mg96  1  0.944845  0.979230  0.457968  1
  Mg  Mg97  1  0.055974  0.114451  0.495627  1
  Mg  Mg98  1  0.222631  0.037942  0.520779  1
  Mg  Mg99  1  0.055965  0.537942  0.520779  1
  Mg  Mg100  1  0.389308  0.114451  0.495627  1
  Mg  Mg101  1  0.555965  0.037942  0.520779  1
  Mg  Mg102  1  0.222641  0.614451  0.495627  1
  Mg  Mg103  1  0.389298  0.537942  0.520779  1
  Mg  Mg104  1  0.722641  0.114451  0.495627  1
  Mg  Mg105  1  0.889298  0.037942  0.520779  1
  Mg  Mg106  1  0.555974  0.614451  0.495627  1
  Mg  Mg107  1  0.722631  0.537942  0.520779  1
  Mg  Mg108  1  0.889308  0.614451  0.495627  1
  Mg  Mg109  1  0.111498  0.326218  0.508240  1
  Mg  Mg110  1  0.278174  0.402727  0.483088  1
  Mg  Mg111  1  0.111507  0.902727  0.483088  1
  Mg  Mg112  1  0.444831  0.326218  0.508240  1
  Mg  Mg113  1  0.611507  0.402727  0.483088  1
  Mg  Mg114  1  0.278164  0.826218  0.508240  1
  Mg  Mg115  1  0.444841  0.902727  0.483088  1
  Mg  Mg116  1  0.778164  0.326218  0.508240  1
  Mg  Mg117  1  0.944841  0.402727  0.483088  1
  Mg  Mg118  1  0.611498  0.826218  0.508240  1
  Mg  Mg119  1  0.778174  0.902727  0.483088  1
  Mg  Mg120  1  0.944831  0.826218  0.508240  1
  Mg  Mg121  1  0.055960  0.961439  0.545899  1
  Mg  Mg122  1  0.222601  0.884960  0.571075  1
  Mg  Mg123  1  0.055934  0.384960  0.571075  1
  Mg  Mg124  1  0.389293  0.961439  0.545899  1
  Mg  Mg125  1  0.555934  0.884960  0.571075  1
  Mg  Mg126  1  0.222627  0.461439  0.545899  1
  Mg  Mg127  1  0.389268  0.384960  0.571075  1
  Mg  Mg128  1  0.722627  0.961439  0.545899  1
  Mg  Mg129  1  0.889268  0.884960  0.571075  1
  Mg  Mg130  1  0.555960  0.461439  0.545899  1
  Mg  Mg131  1  0.722601  0.384960  0.571075  1
  Mg  Mg132  1  0.889293  0.461439  0.545899  1
  Mg  Mg133  1  0.111475  0.173113  0.558447  1
  Mg  Mg134  1  0.278203  0.249642  0.533338  1
  Mg  Mg135  1  0.111536  0.749642  0.533338  1
  Mg  Mg136  1  0.444808  0.173113  0.558447  1
  Mg  Mg137  1  0.611536  0.249642  0.533338  1
  Mg  Mg138  1  0.278142  0.673113  0.558447  1
  Mg  Mg139  1  0.444870  0.749642  0.533338  1
  Mg  Mg140  1  0.778142  0.173113  0.558447  1
  Mg  Mg141  1  0.944870  0.249642  0.533338  1
  Mg  Mg142  1  0.611475  0.673113  0.558447  1
  Mg  Mg143  1  0.778203  0.749642  0.533338  1
  Mg  Mg144  1  0.944808  0.673113  0.558447  1
  Mg  Mg145  1  0.055796  0.808338  0.596026  1
  Mg  Mg146  1  0.222662  0.731883  0.621194  1
  Mg  Mg147  1  0.055996  0.231883  0.621194  1
  Mg  Mg148  1  0.389130  0.808338  0.596026  1
  Mg  Mg149  1  0.555996  0.731883  0.621194  1
  Mg  Mg150  1  0.222463  0.308338  0.596026  1
  Mg  Mg151  1  0.389329  0.231883  0.621194  1
  Mg  Mg152  1  0.722463  0.808338  0.596026  1
  Mg  Mg153  1  0.889329  0.731883  0.621194  1
  Mg  Mg154  1  0.555796  0.308338  0.596026  1
  Mg  Mg155  1  0.722662  0.231883  0.621194  1
  Mg  Mg156  1  0.889130  0.308338  0.596026  1
  Mg  Mg157  1  0.111485  0.020169  0.608688  1
  Mg  Mg158  1  0.278205  0.096541  0.583599  1
  Mg  Mg159  1  0.111538  0.596541  0.583599  1
  Mg  Mg160  1  0.444818  0.020169  0.608688  1
  Mg  Mg161  1  0.611538  0.096541  0.583599  1
  Mg  Mg162  1  0.278151  0.520169  0.608688  1
  Mg  Mg163  1  0.444872  0.596541  0.583599  1
  Mg  Mg164  1  0.778151  0.020169  0.608688  1
  Mg  Mg165  1  0.944872  0.096541  0.583599  1
  Mg  Mg166  1  0.611485  0.520169  0.608688  1
  Mg  Mg167  1  0.778205  0.596541  0.583599  1
  Mg  Mg168  1  0.944818  0.520169  0.608688  1
  Mg  Mg169  1  0.055988  0.655270  0.646102  1
  Mg  Mg170  1  0.222793  0.578533  0.670893  1
  Mg  Mg171  1  0.056127  0.078533  0.670893  1
  Mg  Mg172  1  0.389321  0.655270  0.646102  1
  Mg  Mg173  1  0.556127  0.578533  0.670893  1
  Mg  Mg174  1  0.222655  0.155270  0.646102  1
  Mg  Mg175  1  0.389460  0.078533  0.670893  1
  Mg  Mg176  1  0.722655  0.655270  0.646102  1
  Mg  Mg177  1  0.889460  0.578533  0.670893  1
  Mg  Mg178  1  0.555988  0.155270  0.646102  1
  Mg  Mg179  1  0.722793  0.078533  0.670893  1
  Mg  Mg180  1  0.889321  0.155270  0.646102  1
  Mg  Mg181  1  0.111080  0.866519  0.658263  1
  Mg  Mg182  1  0.278075  0.943620  0.633912  1
  Mg  Mg183  1  0.111408  0.443620  0.633912  1
  Mg  Mg184  1  0.444413  0.866519  0.658263  1
  Mg  Mg185  1  0.611408  0.943620  0.633912  1
  Mg  Mg186  1  0.277747  0.366519  0.658263  1
  Mg  Mg187  1  0.444742  0.443620  0.633912  1
  Mg  Mg188  1  0.777747  0.866519  0.658263  1
  Mg  Mg189  1  0.944742  0.943620  0.633912  1
  Mg  Mg190  1  0.611080  0.366519  0.658263  1
  Mg  Mg191  1  0.778075  0.443620  0.633912  1
  Mg  Mg192  1  0.944413  0.366519  0.658263  1
  Mg  Mg193  1  0.055775  0.501640  0.695533  1
  Mg  Mg194  1  0.222438  0.425706  0.719426  1
  Mg  Mg195  1  0.055772  0.925706  0.719426  1
  Mg  Mg196  1  0.389108  0.501640  0.695533  1
  Mg  Mg197  1  0.555772  0.425706  0.719426  1
  Mg  Mg198  1  0.222442  0.001640  0.695533  1
  Mg  Mg199  1  0.389105  0.925706  0.719426  1
  Mg  Mg200  1  0.722442  0.501640  0.695533  1
  Mg  Mg201  1  0.889105  0.425706  0.719426  1
  Mg  Mg202  1  0.555775  0.001640  0.695533  1
  Mg  Mg203  1  0.722438  0.925706  0.719426  1
  Mg  Mg204  1  0.889108  0.001640  0.695533  1
  Mg  Mg205  1  0.111014  0.714439  0.707355  1
  Mg  Mg206  1  0.277530  0.790449  0.683357  1
  Mg  Mg207  1  0.110863  0.290449  0.683357  1
  Mg  Mg208  1  0.444347  0.714439  0.707355  1
  Mg  Mg209  1  0.610863  0.790449  0.683357  1
  Mg  Mg210  1  0.277680  0.214439  0.707355  1
  Mg  Mg211  1  0.444196  0.290449  0.683357  1
  Mg  Mg212  1  0.777680  0.714439  0.707355  1
  Mg  Mg213  1  0.944196  0.790449  0.683357  1
  Mg  Mg214  1  0.611014  0.214439  0.707355  1
  Mg  Mg215  1  0.777530  0.290449  0.683357  1
  Mg  Mg216  1  0.944347  0.214439  0.707355  1
