# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.97871662
_cell_length_b   17.79314580
_cell_length_c   20.88093871
_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   Mg239
_cell_volume   5540.45824302
_cell_formula_units_Z   239
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  0.000417  0.000695  0.499235  1
  Mg  Mg2  1  0.835106  0.166005  -0.000765  1
  Mg  Mg3  1  0.833749  0.167363  0.499235  1
  Mg  Mg4  1  0.667464  0.333647  0.999235  1
  Mg  Mg5  1  0.667084  0.334027  0.499235  1
  Mg  Mg6  1  0.500417  0.500695  -0.000765  1
  Mg  Mg7  1  0.500417  0.500695  0.499235  1
  Mg  Mg8  1  0.333370  0.667742  -0.000765  1
  Mg  Mg9  1  0.333749  0.667362  0.499235  1
  Mg  Mg10  1  0.165727  0.835384  -0.000765  1
  Mg  Mg11  1  0.167085  0.834027  0.499235  1
  Mg  Mg12  1  0.198790  1.000695  -0.000765  1
  Mg  Mg13  1  0.200418  1.000695  0.499235  1
  Mg  Mg14  1  0.033479  0.166005  -0.000765  1
  Mg  Mg15  1  0.033750  0.167363  0.499235  1
  Mg  Mg16  1  0.867211  0.333710  0.999220  1
  Mg  Mg17  1  0.867084  0.334028  0.499236  1
  Mg  Mg18  1  0.700431  0.500658  -0.000762  1
  Mg  Mg19  1  0.700417  0.500694  0.499235  1
  Mg  Mg20  1  0.533711  0.667379  -0.000762  1
  Mg  Mg21  1  0.533750  0.667362  0.499235  1
  Mg  Mg22  1  0.366732  0.834188  0.999220  1
  Mg  Mg23  1  0.367083  0.834028  0.499236  1
  Mg  Mg24  1  0.400010  1.000695  0.999235  1
  Mg  Mg25  1  0.400416  0.000695  0.499235  1
  Mg  Mg26  1  0.233526  0.167202  -0.000749  1
  Mg  Mg27  1  0.233750  0.167361  0.499235  1
  Mg  Mg28  1  0.067007  0.333647  -0.000765  1
  Mg  Mg29  1  0.067083  0.334027  0.499235  1
  Mg  Mg30  1  0.900439  0.500699  -0.000762  1
  Mg  Mg31  1  0.900417  0.500695  0.499235  1
  Mg  Mg32  1  0.733775  0.667379  -0.000762  1
  Mg  Mg33  1  0.733750  0.667362  0.499235  1
  Mg  Mg34  1  0.567069  0.834064  -0.000758  1
  Mg  Mg35  1  0.567083  0.834028  0.499235  1
  Mg  Mg36  1  0.600824  0.000695  -0.000765  1
  Mg  Mg37  1  0.600417  1.000695  0.499235  1
  Mg  Mg38  1  0.433765  0.167325  0.999229  1
  Mg  Mg39  1  0.433750  0.167361  0.499235  1
  Mg  Mg40  1  0.267059  0.334011  0.999232  1
  Mg  Mg41  1  0.267083  0.334028  0.499235  1
  Mg  Mg42  1  0.100394  0.500690  0.999232  1
  Mg  Mg43  1  0.100417  0.500695  0.499235  1
  Mg  Mg44  1  0.933827  0.667743  0.999235  1
  Mg  Mg45  1  0.933750  0.667362  0.499235  1
  Mg  Mg46  1  0.767308  0.834188  0.999220  1
  Mg  Mg47  1  0.767084  0.834028  0.499236  1
  Mg  Mg48  1  0.802044  0.000695  0.999235  1
  Mg  Mg49  1  0.800416  0.000695  0.499235  1
  Mg  Mg50  1  0.634102  0.167202  -0.000749  1
  Mg  Mg51  1  0.633751  0.167361  0.499235  1
  Mg  Mg52  1  0.467123  0.334010  0.999232  1
  Mg  Mg53  1  0.467084  0.334028  0.499235  1
  Mg  Mg54  1  0.300402  0.500731  0.999232  1
  Mg  Mg55  1  0.300416  0.500695  0.499235  1
  Mg  Mg56  1  0.133623  0.667680  -0.000750  1
  Mg  Mg57  1  0.133750  0.667362  0.499234  1
  Mg  Mg58  1  0.967355  0.835384  0.999235  1
  Mg  Mg59  1  0.967083  0.834027  0.499235  1
  Mg  Mg60  1  0.078201  0.056255  0.374214  1
  Mg  Mg61  1  0.077562  0.055798  0.875232  1
  Mg  Mg62  1  0.911530  0.222911  0.374224  1
  Mg  Mg63  1  0.911314  0.223451  0.873946  1
  Mg  Mg64  1  0.744861  0.389584  0.374235  1
  Mg  Mg65  1  0.744762  0.389684  0.874236  1
  Mg  Mg66  1  0.578194  0.556250  0.374236  1
  Mg  Mg67  1  0.578196  0.556252  0.874232  1
  Mg  Mg68  1  0.411529  0.722916  0.374235  1
  Mg  Mg69  1  0.411629  0.722818  0.874237  1
  Mg  Mg70  1  0.244855  0.889586  0.374224  1
  Mg  Mg71  1  0.245449  0.889317  0.873946  1
  Mg  Mg72  1  0.278185  0.056235  0.374218  1
  Mg  Mg73  1  0.277925  0.056191  0.874349  1
  Mg  Mg74  1  0.111508  0.222911  0.374218  1
  Mg  Mg75  1  0.111415  0.222702  0.874349  1
  Mg  Mg76  1  0.944861  0.389585  0.374235  1
  Mg  Mg77  1  0.944879  0.389685  0.874237  1
  Mg  Mg78  1  0.778194  0.556251  0.374236  1
  Mg  Mg79  1  0.778188  0.556250  0.874232  1
  Mg  Mg80  1  0.611528  0.722916  0.374237  1
  Mg  Mg81  1  0.611532  0.722908  0.874232  1
  Mg  Mg82  1  0.444862  0.889583  0.374236  1
  Mg  Mg83  1  0.444970  0.889581  0.874235  1
  Mg  Mg84  1  0.478195  0.056249  0.374236  1
  Mg  Mg85  1  0.478197  0.056245  0.874265  1
  Mg  Mg86  1  0.311535  0.222921  0.374245  1
  Mg  Mg87  1  0.311503  0.222899  0.874246  1
  Mg  Mg88  1  0.144860  0.389586  0.374235  1
  Mg  Mg89  1  0.144853  0.389558  0.874250  1
  Mg  Mg90  1  0.978194  0.556250  0.374236  1
  Mg  Mg91  1  0.978197  0.556290  0.874248  1
  Mg  Mg92  1  0.811527  0.722916  0.374235  1
  Mg  Mg93  1  0.811505  0.722818  0.874237  1
  Mg  Mg94  1  0.644861  0.889583  0.374236  1
  Mg  Mg95  1  0.644755  0.889581  0.874235  1
  Mg  Mg96  1  0.678217  0.056235  0.374218  1
  Mg  Mg97  1  0.678511  0.056191  0.874349  1
  Mg  Mg98  1  0.511517  0.222921  0.374245  1
  Mg  Mg99  1  0.511567  0.222899  0.874246  1
  Mg  Mg100  1  0.344861  0.389583  0.374233  1
  Mg  Mg101  1  0.344861  0.389584  0.874235  1
  Mg  Mg102  1  0.178198  0.556241  0.374245  1
  Mg  Mg103  1  0.178180  0.556286  0.874246  1
  Mg  Mg104  1  0.011513  0.722938  0.374218  1
  Mg  Mg105  1  0.011512  0.723191  0.874348  1
  Mg  Mg106  1  0.844865  0.889586  0.374224  1
  Mg  Mg107  1  0.844487  0.889317  0.873946  1
  Mg  Mg108  1  0.878185  0.056255  0.374214  1
  Mg  Mg109  1  0.879189  0.055798  0.875232  1
  Mg  Mg110  1  0.711552  0.222911  0.374218  1
  Mg  Mg111  1  0.711813  0.222702  0.874349  1
  Mg  Mg112  1  0.544861  0.389585  0.374235  1
  Mg  Mg113  1  0.544891  0.389558  0.874250  1
  Mg  Mg114  1  0.378196  0.556250  0.374235  1
  Mg  Mg115  1  0.378169  0.556279  0.874250  1
  Mg  Mg116  1  0.211526  0.722938  0.374218  1
  Mg  Mg117  1  0.211325  0.723190  0.874349  1
  Mg  Mg118  1  0.044865  0.889575  0.374214  1
  Mg  Mg119  1  0.044500  0.890488  0.875232  1
  Mg  Mg120  1  1.000417  0.000695  0.249081  1
  Mg  Mg121  1  0.000417  1.000695  0.749390  1
  Mg  Mg122  1  0.833973  0.167282  0.249043  1
  Mg  Mg123  1  0.833806  0.167162  0.749427  1
  Mg  Mg124  1  0.667114  0.334000  0.249217  1
  Mg  Mg125  1  0.667111  0.333998  0.749253  1
  Mg  Mg126  1  0.500417  0.500695  0.249235  1
  Mg  Mg127  1  0.500417  0.500695  0.749235  1
  Mg  Mg128  1  0.333723  0.667392  0.249217  1
  Mg  Mg129  1  0.333719  0.667389  0.749253  1
  Mg  Mg130  1  0.167028  0.834227  0.249043  1
  Mg  Mg131  1  0.166861  0.834108  0.749427  1
  Mg  Mg132  1  0.200297  1.000575  0.249043  1
  Mg  Mg133  1  0.200202  0.000814  0.749427  1
  Mg  Mg134  1  0.033591  0.167282  0.249043  1
  Mg  Mg135  1  0.033854  0.167162  0.749427  1
  Mg  Mg136  1  0.867078  0.334043  0.249224  1
  Mg  Mg137  1  0.867062  0.334081  0.749133  1
  Mg  Mg138  1  0.700415  0.500696  0.249235  1
  Mg  Mg139  1  0.700411  0.500702  0.749233  1
  Mg  Mg140  1  0.533751  0.667360  0.249235  1
  Mg  Mg141  1  0.533758  0.667355  0.749233  1
  Mg  Mg142  1  0.367100  0.834021  0.249223  1
  Mg  Mg143  1  0.367142  0.834002  0.749133  1
  Mg  Mg144  1  0.400384  1.000692  0.249217  1
  Mg  Mg145  1  0.400382  0.000697  0.749253  1
  Mg  Mg146  1  0.233788  0.167388  0.249337  1
  Mg  Mg147  1  0.233761  0.167369  0.749247  1
  Mg  Mg148  1  0.067075  0.334001  0.249217  1
  Mg  Mg149  1  0.067081  0.333998  0.749253  1
  Mg  Mg150  1  0.900418  0.500696  0.249235  1
  Mg  Mg151  1  0.900417  0.500702  0.749233  1
  Mg  Mg152  1  0.733750  0.667360  0.249235  1
  Mg  Mg153  1  0.733747  0.667355  0.749233  1
  Mg  Mg154  1  0.567083  0.834029  0.249235  1
  Mg  Mg155  1  0.567084  0.834026  0.749231  1
  Mg  Mg156  1  0.600452  1.000692  0.249217  1
  Mg  Mg157  1  0.600450  0.000697  0.749253  1
  Mg  Mg158  1  0.433749  0.167363  0.249239  1
  Mg  Mg159  1  0.433751  0.167360  0.749235  1
  Mg  Mg160  1  0.267086  0.334034  0.249237  1
  Mg  Mg161  1  0.267083  0.334029  0.749235  1
  Mg  Mg162  1  0.100416  0.500687  0.249237  1
  Mg  Mg163  1  0.100416  0.500693  0.749235  1
  Mg  Mg164  1  0.933753  0.667392  0.249217  1
  Mg  Mg165  1  0.933759  0.667388  0.749253  1
  Mg  Mg166  1  0.767073  0.834021  0.249223  1
  Mg  Mg167  1  0.767046  0.834002  0.749133  1
  Mg  Mg168  1  0.800632  1.000575  0.249043  1
  Mg  Mg169  1  0.800536  0.000814  0.749427  1
  Mg  Mg170  1  0.633691  0.167388  0.249337  1
  Mg  Mg171  1  0.633734  0.167369  0.749247  1
  Mg  Mg172  1  0.467076  0.334034  0.249237  1
  Mg  Mg173  1  0.467083  0.334029  0.749235  1
  Mg  Mg174  1  0.300423  0.500687  0.249237  1
  Mg  Mg175  1  0.300418  0.500694  0.749235  1
  Mg  Mg176  1  0.133771  0.667308  0.249337  1
  Mg  Mg177  1  0.133756  0.667347  0.749247  1
  Mg  Mg178  1  0.966980  0.834227  0.249043  1
  Mg  Mg179  1  0.967243  0.834108  0.749427  1
  Mg  Mg180  1  0.956334  0.110902  0.123239  1
  Mg  Mg181  1  0.955969  0.111815  0.624257  1
  Mg  Mg182  1  0.789509  0.278199  0.124122  1
  Mg  Mg183  1  0.789308  0.278451  0.624252  1
  Mg  Mg184  1  0.622664  0.445110  0.124221  1
  Mg  Mg185  1  0.622637  0.445140  0.624235  1
  Mg  Mg186  1  0.455943  0.611832  0.124220  1
  Mg  Mg187  1  0.455973  0.611804  0.624235  1
  Mg  Mg188  1  0.289021  0.778687  0.124122  1
  Mg  Mg189  1  0.289281  0.778478  0.624252  1
  Mg  Mg190  1  0.121645  0.945591  0.123239  1
  Mg  Mg191  1  0.122649  0.945135  0.624257  1
  Mg  Mg192  1  0.156347  0.112073  0.124524  1
  Mg  Mg193  1  0.155968  0.111803  0.624247  1
  Mg  Mg194  1  0.989321  0.278199  0.124122  1
  Mg  Mg195  1  0.989320  0.278451  0.624252  1
  Mg  Mg196  1  0.822653  0.445104  0.124224  1
  Mg  Mg197  1  0.822636  0.445149  0.624225  1
  Mg  Mg198  1  0.655972  0.611806  0.124235  1
  Mg  Mg199  1  0.655972  0.611806  0.624237  1
  Mg  Mg200  1  0.489267  0.778490  0.124225  1
  Mg  Mg201  1  0.489317  0.778468  0.624226  1
  Mg  Mg202  1  0.322322  0.945198  0.124121  1
  Mg  Mg203  1  0.322617  0.945155  0.624253  1
  Mg  Mg204  1  0.356079  0.111809  0.124235  1
  Mg  Mg205  1  0.355973  0.111806  0.624235  1
  Mg  Mg206  1  0.189329  0.278571  0.124234  1
  Mg  Mg207  1  0.189306  0.278473  0.624235  1
  Mg  Mg208  1  0.022636  0.445099  0.124223  1
  Mg  Mg209  1  0.022640  0.445139  0.624235  1
  Mg  Mg210  1  0.855981  0.611832  0.124221  1
  Mg  Mg211  1  0.855973  0.611804  0.624236  1
  Mg  Mg212  1  0.689331  0.778490  0.124225  1
  Mg  Mg213  1  0.689298  0.778468  0.624226  1
  Mg  Mg214  1  0.522637  0.945144  0.124205  1
  Mg  Mg215  1  0.522639  0.945140  0.624235  1
  Mg  Mg216  1  0.555863  0.111809  0.124235  1
  Mg  Mg217  1  0.555972  0.111806  0.624235  1
  Mg  Mg218  1  0.389302  0.278482  0.124238  1
  Mg  Mg219  1  0.389305  0.278473  0.624233  1
  Mg  Mg220  1  0.222646  0.445140  0.124239  1
  Mg  Mg221  1  0.222639  0.445138  0.624234  1
  Mg  Mg222  1  0.055954  0.611705  0.124234  1
  Mg  Mg223  1  0.055972  0.611805  0.624235  1
  Mg  Mg224  1  0.889418  0.778687  0.124122  1
  Mg  Mg225  1  0.889326  0.778478  0.624252  1
  Mg  Mg226  1  0.722909  0.945198  0.124121  1
  Mg  Mg227  1  0.722648  0.945155  0.624253  1
  Mg  Mg228  1  0.755384  0.112073  0.124524  1
  Mg  Mg229  1  0.755979  0.111803  0.624247  1
  Mg  Mg230  1  0.589204  0.278571  0.124234  1
  Mg  Mg231  1  0.589305  0.278473  0.624235  1
  Mg  Mg232  1  0.422638  0.445138  0.124239  1
  Mg  Mg233  1  0.422639  0.445139  0.624235  1
  Mg  Mg234  1  0.256071  0.611705  0.124234  1
  Mg  Mg235  1  0.255973  0.611805  0.624235  1
  Mg  Mg236  1  0.089519  0.777938  0.124524  1
  Mg  Mg237  1  0.089303  0.778478  0.624247  1
  Mg  Mg238  1  0.923272  0.945591  0.123239  1
  Mg  Mg239  1  0.922633  0.945135  0.624257  1
