# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.00301624
_cell_length_b   22.56159614
_cell_length_c   16.00735803
_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   Mg249
_cell_volume   5779.51407287
_cell_formula_units_Z   249
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  0.061568  0.898322  0.260032  1
  Mg  Mg2  1  0.061568  0.898322  0.461095  1
  Mg  Mg3  1  0.061568  0.898322  0.661736  1
  Mg  Mg4  1  0.061568  0.898322  0.862799  1
  Mg  Mg5  1  0.061568  0.098744  1.061415  1
  Mg  Mg6  1  0.061568  0.098039  0.261072  1
  Mg  Mg7  1  0.061568  0.098146  0.461282  1
  Mg  Mg8  1  0.061568  0.098146  0.661549  1
  Mg  Mg9  1  0.061568  0.098039  0.861758  1
  Mg  Mg10  1  0.061568  0.298330  1.061415  1
  Mg  Mg11  1  0.061568  0.298326  0.261459  1
  Mg  Mg12  1  0.061568  0.298239  0.461416  1
  Mg  Mg13  1  0.061568  0.298239  0.661415  1
  Mg  Mg14  1  0.061568  0.298326  0.861372  1
  Mg  Mg15  1  0.061568  0.498314  1.061415  1
  Mg  Mg16  1  0.061568  0.498318  0.261459  1
  Mg  Mg17  1  0.061568  0.498405  0.461416  1
  Mg  Mg18  1  0.061568  0.498405  0.661415  1
  Mg  Mg19  1  0.061568  0.498318  0.861372  1
  Mg  Mg20  1  0.061568  0.697900  1.061415  1
  Mg  Mg21  1  0.061568  0.698605  0.261072  1
  Mg  Mg22  1  0.061568  0.698498  0.461282  1
  Mg  Mg23  1  0.061568  0.698498  0.661549  1
  Mg  Mg24  1  0.061568  0.698605  0.861758  1
  Mg  Mg25  1  0.260160  0.898322  1.061415  1
  Mg  Mg26  1  0.262054  0.898322  0.261904  1
  Mg  Mg27  1  0.261612  0.898322  0.461508  1
  Mg  Mg28  1  0.261612  0.898322  0.661323  1
  Mg  Mg29  1  0.262054  0.898322  0.860927  1
  Mg  Mg30  1  0.261225  0.098039  1.061415  1
  Mg  Mg31  1  0.261261  0.097971  0.261108  1
  Mg  Mg32  1  0.261496  0.098206  0.461328  1
  Mg  Mg33  1  0.261496  0.098206  0.661503  1
  Mg  Mg34  1  0.261261  0.097971  0.861723  1
  Mg  Mg35  1  0.261611  0.298325  1.061415  1
  Mg  Mg36  1  0.261588  0.298307  0.261435  1
  Mg  Mg37  1  0.261536  0.298243  0.461404  1
  Mg  Mg38  1  0.261536  0.298243  0.661426  1
  Mg  Mg39  1  0.261588  0.298307  0.861396  1
  Mg  Mg40  1  0.261611  0.498318  1.061415  1
  Mg  Mg41  1  0.261588  0.498337  0.261435  1
  Mg  Mg42  1  0.261536  0.498401  0.461404  1
  Mg  Mg43  1  0.261536  0.498401  0.661426  1
  Mg  Mg44  1  0.261588  0.498337  0.861396  1
  Mg  Mg45  1  0.261225  0.698605  1.061415  1
  Mg  Mg46  1  0.261261  0.698673  0.261108  1
  Mg  Mg47  1  0.261496  0.698437  0.461328  1
  Mg  Mg48  1  0.261496  0.698437  0.661503  1
  Mg  Mg49  1  0.261261  0.698673  0.861723  1
  Mg  Mg50  1  0.461242  0.898322  1.061415  1
  Mg  Mg51  1  0.461660  0.898322  0.261461  1
  Mg  Mg52  1  0.461581  0.898322  0.461428  1
  Mg  Mg53  1  0.461581  0.898322  0.661403  1
  Mg  Mg54  1  0.461660  0.898322  0.861370  1
  Mg  Mg55  1  0.461434  0.098144  1.061415  1
  Mg  Mg56  1  0.461480  0.098205  0.261342  1
  Mg  Mg57  1  0.461571  0.098330  0.461418  1
  Mg  Mg58  1  0.461571  0.098330  0.661413  1
  Mg  Mg59  1  0.461480  0.098205  0.861488  1
  Mg  Mg60  1  0.461568  0.298239  1.061415  1
  Mg  Mg61  1  0.461557  0.298243  0.261384  1
  Mg  Mg62  1  0.461535  0.298258  0.461382  1
  Mg  Mg63  1  0.461535  0.298258  0.661448  1
  Mg  Mg64  1  0.461557  0.298243  0.861447  1
  Mg  Mg65  1  0.461568  0.498405  1.061415  1
  Mg  Mg66  1  0.461557  0.498401  0.261384  1
  Mg  Mg67  1  0.461535  0.498386  0.461382  1
  Mg  Mg68  1  0.461535  0.498386  0.661448  1
  Mg  Mg69  1  0.461557  0.498401  0.861447  1
  Mg  Mg70  1  0.461434  0.698500  1.061415  1
  Mg  Mg71  1  0.461480  0.698439  0.261342  1
  Mg  Mg72  1  0.461571  0.698314  0.461418  1
  Mg  Mg73  1  0.461571  0.698314  0.661413  1
  Mg  Mg74  1  0.461480  0.698439  0.861488  1
  Mg  Mg75  1  0.661894  0.898322  1.061415  1
  Mg  Mg76  1  0.661476  0.898322  0.261461  1
  Mg  Mg77  1  0.661555  0.898322  0.461428  1
  Mg  Mg78  1  0.661555  0.898322  0.661403  1
  Mg  Mg79  1  0.661476  0.898322  0.861370  1
  Mg  Mg80  1  0.661701  0.098144  1.061415  1
  Mg  Mg81  1  0.661655  0.098205  0.261342  1
  Mg  Mg82  1  0.661565  0.098330  0.461418  1
  Mg  Mg83  1  0.661565  0.098330  0.661413  1
  Mg  Mg84  1  0.661655  0.098205  0.861488  1
  Mg  Mg85  1  0.661567  0.298239  1.061415  1
  Mg  Mg86  1  0.661578  0.298243  0.261384  1
  Mg  Mg87  1  0.661600  0.298258  0.461382  1
  Mg  Mg88  1  0.661600  0.298258  0.661448  1
  Mg  Mg89  1  0.661578  0.298243  0.861447  1
  Mg  Mg90  1  0.661567  0.498405  1.061415  1
  Mg  Mg91  1  0.661578  0.498401  0.261384  1
  Mg  Mg92  1  0.661600  0.498386  0.461382  1
  Mg  Mg93  1  0.661600  0.498386  0.661448  1
  Mg  Mg94  1  0.661578  0.498401  0.861447  1
  Mg  Mg95  1  0.661701  0.698500  1.061415  1
  Mg  Mg96  1  0.661655  0.698439  0.261342  1
  Mg  Mg97  1  0.661565  0.698314  0.461418  1
  Mg  Mg98  1  0.661565  0.698314  0.661413  1
  Mg  Mg99  1  0.661655  0.698439  0.861488  1
  Mg  Mg100  1  0.862975  0.898322  1.061415  1
  Mg  Mg101  1  0.861081  0.898322  0.261904  1
  Mg  Mg102  1  0.861523  0.898322  0.461508  1
  Mg  Mg103  1  0.861523  0.898322  0.661323  1
  Mg  Mg104  1  0.861081  0.898322  0.860927  1
  Mg  Mg105  1  0.861910  0.098039  1.061415  1
  Mg  Mg106  1  0.861874  0.097971  0.261108  1
  Mg  Mg107  1  0.861639  0.098206  0.461328  1
  Mg  Mg108  1  0.861639  0.098206  0.661503  1
  Mg  Mg109  1  0.861874  0.097971  0.861723  1
  Mg  Mg110  1  0.861525  0.298325  1.061415  1
  Mg  Mg111  1  0.861548  0.298307  0.261435  1
  Mg  Mg112  1  0.861599  0.298243  0.461404  1
  Mg  Mg113  1  0.861599  0.298243  0.661426  1
  Mg  Mg114  1  0.861548  0.298307  0.861396  1
  Mg  Mg115  1  0.861525  0.498318  1.061415  1
  Mg  Mg116  1  0.861548  0.498337  0.261435  1
  Mg  Mg117  1  0.861599  0.498401  0.461404  1
  Mg  Mg118  1  0.861599  0.498401  0.661426  1
  Mg  Mg119  1  0.861548  0.498337  0.861396  1
  Mg  Mg120  1  0.861910  0.698605  1.061415  1
  Mg  Mg121  1  0.861874  0.698673  0.261108  1
  Mg  Mg122  1  0.861639  0.698437  0.461328  1
  Mg  Mg123  1  0.861639  0.698437  0.661503  1
  Mg  Mg124  1  0.861874  0.698673  0.861723  1
  Mg  Mg125  1  0.160704  -0.002635  0.160553  1
  Mg  Mg126  1  0.161521  -0.001867  0.361112  1
  Mg  Mg127  1  0.161536  -0.001769  0.561415  1
  Mg  Mg128  1  0.161521  -0.001867  0.761718  1
  Mg  Mg129  1  0.160704  -0.002635  0.962277  1
  Mg  Mg130  1  0.161602  0.198364  0.161450  1
  Mg  Mg131  1  0.161526  0.198171  0.361317  1
  Mg  Mg132  1  0.161528  0.198183  0.561415  1
  Mg  Mg133  1  0.161526  0.198171  0.761513  1
  Mg  Mg134  1  0.161602  0.198364  0.961381  1
  Mg  Mg135  1  0.161586  0.398322  0.161434  1
  Mg  Mg136  1  0.161574  0.398322  0.361463  1
  Mg  Mg137  1  0.161557  0.398322  0.561415  1
  Mg  Mg138  1  0.161574  0.398322  0.761368  1
  Mg  Mg139  1  0.161586  0.398322  0.961397  1
  Mg  Mg140  1  0.161602  0.598279  0.161450  1
  Mg  Mg141  1  0.161526  0.598472  0.361317  1
  Mg  Mg142  1  0.161528  0.598461  0.561415  1
  Mg  Mg143  1  0.161526  0.598472  0.761513  1
  Mg  Mg144  1  0.161602  0.598279  0.961381  1
  Mg  Mg145  1  0.160704  0.799278  0.160553  1
  Mg  Mg146  1  0.161521  0.798511  0.361112  1
  Mg  Mg147  1  0.161536  0.798413  0.561415  1
  Mg  Mg148  1  0.161521  0.798511  0.761718  1
  Mg  Mg149  1  0.160704  0.799278  0.962277  1
  Mg  Mg150  1  0.361262  -0.001869  0.161368  1
  Mg  Mg151  1  0.361638  -0.001648  0.361486  1
  Mg  Mg152  1  0.361594  -0.001663  0.561415  1
  Mg  Mg153  1  0.361638  -0.001648  0.761345  1
  Mg  Mg154  1  0.361262  -0.001869  0.961463  1
  Mg  Mg155  1  0.361471  0.198171  0.161373  1
  Mg  Mg156  1  0.361459  0.198172  0.361306  1
  Mg  Mg157  1  0.361503  0.198242  0.561415  1
  Mg  Mg158  1  0.361459  0.198172  0.761525  1
  Mg  Mg159  1  0.361471  0.198171  0.961458  1
  Mg  Mg160  1  0.361615  0.398322  0.161421  1
  Mg  Mg161  1  0.361580  0.398322  0.361427  1
  Mg  Mg162  1  0.361545  0.398322  0.561415  1
  Mg  Mg163  1  0.361580  0.398322  0.761403  1
  Mg  Mg164  1  0.361615  0.398322  0.961410  1
  Mg  Mg165  1  0.361471  0.598472  0.161373  1
  Mg  Mg166  1  0.361459  0.598472  0.361306  1
  Mg  Mg167  1  0.361503  0.598401  0.561415  1
  Mg  Mg168  1  0.361459  0.598472  0.761525  1
  Mg  Mg169  1  0.361471  0.598472  0.961458  1
  Mg  Mg170  1  0.361262  0.798513  0.161368  1
  Mg  Mg171  1  0.361638  0.798292  0.361486  1
  Mg  Mg172  1  0.361594  0.798307  0.561415  1
  Mg  Mg173  1  0.361638  0.798292  0.761345  1
  Mg  Mg174  1  0.361262  0.798513  0.961463  1
  Mg  Mg175  1  0.561568  -0.001771  0.161383  1
  Mg  Mg176  1  0.561568  -0.001663  0.361442  1
  Mg  Mg177  1  0.561568  -0.001669  0.561415  1
  Mg  Mg178  1  0.561568  -0.001663  0.761389  1
  Mg  Mg179  1  0.561568  -0.001771  0.961448  1
  Mg  Mg180  1  0.561568  0.198182  0.161375  1
  Mg  Mg181  1  0.561568  0.198242  0.361350  1
  Mg  Mg182  1  0.561568  0.198315  0.561415  1
  Mg  Mg183  1  0.561568  0.198242  0.761481  1
  Mg  Mg184  1  0.561568  0.198182  0.961455  1
  Mg  Mg185  1  0.561568  0.398322  0.161404  1
  Mg  Mg186  1  0.561568  0.398322  0.361392  1
  Mg  Mg187  1  0.561568  0.398322  0.561415  1
  Mg  Mg188  1  0.561568  0.398322  0.761438  1
  Mg  Mg189  1  0.561568  0.398322  0.961426  1
  Mg  Mg190  1  0.561568  0.598462  0.161375  1
  Mg  Mg191  1  0.561568  0.598402  0.361350  1
  Mg  Mg192  1  0.561568  0.598329  0.561415  1
  Mg  Mg193  1  0.561568  0.598402  0.761481  1
  Mg  Mg194  1  0.561568  0.598462  0.961455  1
  Mg  Mg195  1  0.561568  0.798415  0.161383  1
  Mg  Mg196  1  0.561568  0.798307  0.361442  1
  Mg  Mg197  1  0.561568  0.798312  0.561415  1
  Mg  Mg198  1  0.561568  0.798307  0.761389  1
  Mg  Mg199  1  0.561568  0.798415  0.961448  1
  Mg  Mg200  1  0.761874  -0.001869  0.161368  1
  Mg  Mg201  1  0.761498  -0.001648  0.361486  1
  Mg  Mg202  1  0.761541  -0.001663  0.561415  1
  Mg  Mg203  1  0.761498  -0.001648  0.761345  1
  Mg  Mg204  1  0.761874  -0.001869  0.961463  1
  Mg  Mg205  1  0.761665  0.198171  0.161373  1
  Mg  Mg206  1  0.761676  0.198172  0.361306  1
  Mg  Mg207  1  0.761632  0.198242  0.561415  1
  Mg  Mg208  1  0.761676  0.198172  0.761525  1
  Mg  Mg209  1  0.761665  0.198171  0.961458  1
  Mg  Mg210  1  0.761521  0.398322  0.161421  1
  Mg  Mg211  1  0.761555  0.398322  0.361427  1
  Mg  Mg212  1  0.761590  0.398322  0.561415  1
  Mg  Mg213  1  0.761555  0.398322  0.761403  1
  Mg  Mg214  1  0.761521  0.398322  0.961410  1
  Mg  Mg215  1  0.761665  0.598472  0.161373  1
  Mg  Mg216  1  0.761676  0.598472  0.361306  1
  Mg  Mg217  1  0.761632  0.598401  0.561415  1
  Mg  Mg218  1  0.761676  0.598472  0.761525  1
  Mg  Mg219  1  0.761665  0.598472  0.961458  1
  Mg  Mg220  1  0.761874  0.798513  0.161368  1
  Mg  Mg221  1  0.761498  0.798292  0.361486  1
  Mg  Mg222  1  0.761541  0.798307  0.561415  1
  Mg  Mg223  1  0.761498  0.798292  0.761345  1
  Mg  Mg224  1  0.761874  0.798513  0.961463  1
  Mg  Mg225  1  0.962431  -0.002635  0.160553  1
  Mg  Mg226  1  0.961614  -0.001867  0.361112  1
  Mg  Mg227  1  0.961600  -0.001769  0.561415  1
  Mg  Mg228  1  0.961614  -0.001867  0.761718  1
  Mg  Mg229  1  0.962431  -0.002635  0.962277  1
  Mg  Mg230  1  0.961533  0.198364  0.161450  1
  Mg  Mg231  1  0.961610  0.198171  0.361317  1
  Mg  Mg232  1  0.961607  0.198183  0.561415  1
  Mg  Mg233  1  0.961610  0.198171  0.761513  1
  Mg  Mg234  1  0.961533  0.198364  0.961381  1
  Mg  Mg235  1  0.961549  0.398322  0.161434  1
  Mg  Mg236  1  0.961562  0.398322  0.361463  1
  Mg  Mg237  1  0.961579  0.398322  0.561415  1
  Mg  Mg238  1  0.961562  0.398322  0.761368  1
  Mg  Mg239  1  0.961549  0.398322  0.961397  1
  Mg  Mg240  1  0.961533  0.598279  0.161450  1
  Mg  Mg241  1  0.961610  0.598472  0.361317  1
  Mg  Mg242  1  0.961607  0.598461  0.561415  1
  Mg  Mg243  1  0.961610  0.598472  0.761513  1
  Mg  Mg244  1  0.961533  0.598279  0.961381  1
  Mg  Mg245  1  0.962431  0.799278  0.160553  1
  Mg  Mg246  1  0.961614  0.798511  0.361112  1
  Mg  Mg247  1  0.961600  0.798413  0.561415  1
  Mg  Mg248  1  0.961614  0.798511  0.761718  1
  Mg  Mg249  1  0.962431  0.799278  0.962277  1
