# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.53489396
_cell_length_b   22.83628547
_cell_length_c   46.51149432
_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   Mg336
_cell_volume   17562.5336864
_cell_formula_units_Z   336
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  1.002240  0.735418  0.287053  1
  Mg  Mg2  1  0.168662  0.706057  0.315507  1
  Mg  Mg3  1  1.001995  0.206057  0.315507  1
  Mg  Mg4  1  0.335574  0.735418  0.287053  1
  Mg  Mg5  1  0.501995  0.706057  0.315507  1
  Mg  Mg6  1  0.168907  0.235418  0.287053  1
  Mg  Mg7  1  0.335329  0.206057  0.315507  1
  Mg  Mg8  1  0.668907  0.735418  0.287053  1
  Mg  Mg9  1  0.835329  0.706057  0.315507  1
  Mg  Mg10  1  0.502240  0.235418  0.287053  1
  Mg  Mg11  1  0.668662  0.206057  0.315507  1
  Mg  Mg12  1  0.835574  0.235418  0.287053  1
  Mg  Mg13  1  0.055268  0.338634  0.307718  1
  Mg  Mg14  1  0.223288  0.310638  0.339054  1
  Mg  Mg15  1  0.056622  0.810638  0.339054  1
  Mg  Mg16  1  0.388601  0.338634  0.307718  1
  Mg  Mg17  1  0.556622  0.310638  0.339054  1
  Mg  Mg18  1  0.221934  0.838634  0.307718  1
  Mg  Mg19  1  0.389955  0.810638  0.339054  1
  Mg  Mg20  1  0.721934  0.338634  0.307718  1
  Mg  Mg21  1  0.889955  0.310638  0.339054  1
  Mg  Mg22  1  0.555268  0.838634  0.307718  1
  Mg  Mg23  1  0.723288  0.810638  0.339054  1
  Mg  Mg24  1  0.888601  0.838634  0.307718  1
  Mg  Mg25  1  1.000699  0.471396  0.301250  1
  Mg  Mg26  1  0.168746  0.441812  0.330561  1
  Mg  Mg27  1  1.002080  0.941812  0.330561  1
  Mg  Mg28  1  0.334032  0.471396  0.301250  1
  Mg  Mg29  1  0.502080  0.441812  0.330561  1
  Mg  Mg30  1  0.167366  0.971396  0.301250  1
  Mg  Mg31  1  0.335413  0.941812  0.330561  1
  Mg  Mg32  1  0.667366  0.471396  0.301250  1
  Mg  Mg33  1  0.835413  0.441812  0.330561  1
  Mg  Mg34  1  0.500699  0.971396  0.301250  1
  Mg  Mg35  1  0.668746  0.941812  0.330561  1
  Mg  Mg36  1  0.834032  0.971396  0.301250  1
  Mg  Mg37  1  0.115176  0.573935  0.322887  1
  Mg  Mg38  1  0.282140  0.603826  0.293673  1
  Mg  Mg39  1  0.115473  0.103826  0.293673  1
  Mg  Mg40  1  0.448510  0.573935  0.322887  1
  Mg  Mg41  1  0.615473  0.603826  0.293673  1
  Mg  Mg42  1  0.281843  0.073935  0.322887  1
  Mg  Mg43  1  0.448806  0.103826  0.293673  1
  Mg  Mg44  1  0.781843  0.573935  0.322887  1
  Mg  Mg45  1  0.948806  0.603826  0.293673  1
  Mg  Mg46  1  0.615176  0.073935  0.322887  1
  Mg  Mg47  1  0.782140  0.103826  0.293673  1
  Mg  Mg48  1  0.948510  0.073935  0.322887  1
  Mg  Mg49  1  1.002691  0.677372  0.347657  1
  Mg  Mg50  1  0.169288  0.648287  0.378245  1
  Mg  Mg51  1  1.002621  0.148287  0.378245  1
  Mg  Mg52  1  0.336024  0.677372  0.347657  1
  Mg  Mg53  1  0.502621  0.648287  0.378245  1
  Mg  Mg54  1  0.169358  0.177372  0.347657  1
  Mg  Mg55  1  0.335954  0.148287  0.378245  1
  Mg  Mg56  1  0.669358  0.677372  0.347657  1
  Mg  Mg57  1  0.835954  0.648287  0.378245  1
  Mg  Mg58  1  0.502691  0.177372  0.347657  1
  Mg  Mg59  1  0.669288  0.148287  0.378245  1
  Mg  Mg60  1  0.836024  0.177372  0.347657  1
  Mg  Mg61  1  0.057107  0.280759  0.370132  1
  Mg  Mg62  1  0.224173  0.251993  0.401808  1
  Mg  Mg63  1  0.057506  0.751993  0.401808  1
  Mg  Mg64  1  0.390440  0.280759  0.370132  1
  Mg  Mg65  1  0.557506  0.251993  0.401808  1
  Mg  Mg66  1  0.223773  0.780759  0.370132  1
  Mg  Mg67  1  0.390840  0.751993  0.401808  1
  Mg  Mg68  1  0.723773  0.280759  0.370132  1
  Mg  Mg69  1  0.890840  0.251993  0.401808  1
  Mg  Mg70  1  0.557107  0.780759  0.370132  1
  Mg  Mg71  1  0.724173  0.751993  0.401808  1
  Mg  Mg72  1  0.890440  0.780759  0.370132  1
  Mg  Mg73  1  1.002704  0.413020  0.362744  1
  Mg  Mg74  1  0.169225  0.384172  0.393879  1
  Mg  Mg75  1  1.002559  0.884172  0.393879  1
  Mg  Mg76  1  0.336038  0.413020  0.362744  1
  Mg  Mg77  1  0.502559  0.384172  0.393879  1
  Mg  Mg78  1  0.169371  0.913020  0.362744  1
  Mg  Mg79  1  0.335892  0.884172  0.393879  1
  Mg  Mg80  1  0.669371  0.413020  0.362744  1
  Mg  Mg81  1  0.835892  0.384172  0.393879  1
  Mg  Mg82  1  0.502704  0.913020  0.362744  1
  Mg  Mg83  1  0.669225  0.884172  0.393879  1
  Mg  Mg84  1  0.836038  0.913020  0.362744  1
  Mg  Mg85  1  0.114667  0.516134  0.385906  1
  Mg  Mg86  1  0.281375  0.545208  0.355164  1
  Mg  Mg87  1  0.114709  0.045208  0.355164  1
  Mg  Mg88  1  0.448001  0.516134  0.385906  1
  Mg  Mg89  1  0.614709  0.545208  0.355164  1
  Mg  Mg90  1  0.281334  0.016134  0.385906  1
  Mg  Mg91  1  0.448042  0.045208  0.355164  1
  Mg  Mg92  1  0.781334  0.516134  0.385906  1
  Mg  Mg93  1  0.948042  0.545208  0.355164  1
  Mg  Mg94  1  0.614667  0.016134  0.385906  1
  Mg  Mg95  1  0.781375  0.045208  0.355164  1
  Mg  Mg96  1  0.948001  0.016134  0.385906  1
  Mg  Mg97  1  0.002900  0.619352  0.409927  1
  Mg  Mg98  1  0.169475  0.590356  0.441085  1
  Mg  Mg99  1  1.002808  0.090356  0.441085  1
  Mg  Mg100  1  0.336233  0.619352  0.409927  1
  Mg  Mg101  1  0.502808  0.590356  0.441085  1
  Mg  Mg102  1  0.169567  0.119352  0.409927  1
  Mg  Mg103  1  0.336141  0.090356  0.441085  1
  Mg  Mg104  1  0.669567  0.619352  0.409927  1
  Mg  Mg105  1  0.836141  0.590356  0.441085  1
  Mg  Mg106  1  0.502900  0.119352  0.409927  1
  Mg  Mg107  1  0.669475  0.090356  0.441085  1
  Mg  Mg108  1  0.836233  0.119352  0.409927  1
  Mg  Mg109  1  0.057589  0.222723  0.433102  1
  Mg  Mg110  1  0.224354  0.193783  0.464606  1
  Mg  Mg111  1  0.057687  0.693783  0.464606  1
  Mg  Mg112  1  0.390923  0.222723  0.433102  1
  Mg  Mg113  1  0.557687  0.193783  0.464606  1
  Mg  Mg114  1  0.224256  0.722723  0.433102  1
  Mg  Mg115  1  0.391021  0.693783  0.464606  1
  Mg  Mg116  1  0.724256  0.222723  0.433102  1
  Mg  Mg117  1  0.891021  0.193783  0.464606  1
  Mg  Mg118  1  0.557589  0.722723  0.433102  1
  Mg  Mg119  1  0.724354  0.693783  0.464606  1
  Mg  Mg120  1  0.890923  0.722723  0.433102  1
  Mg  Mg121  1  1.002767  0.354905  0.425352  1
  Mg  Mg122  1  0.169432  0.326011  0.456761  1
  Mg  Mg123  1  1.002765  0.826011  0.456761  1
  Mg  Mg124  1  0.336100  0.354905  0.425352  1
  Mg  Mg125  1  0.502765  0.326011  0.456761  1
  Mg  Mg126  1  0.169434  0.854905  0.425352  1
  Mg  Mg127  1  0.336098  0.826011  0.456761  1
  Mg  Mg128  1  0.669434  0.354905  0.425352  1
  Mg  Mg129  1  0.836098  0.326011  0.456761  1
  Mg  Mg130  1  0.502767  0.854905  0.425352  1
  Mg  Mg131  1  0.669432  0.826011  0.456761  1
  Mg  Mg132  1  0.836100  0.854905  0.425352  1
  Mg  Mg133  1  0.114604  0.458200  0.448922  1
  Mg  Mg134  1  0.281288  0.487122  0.417644  1
  Mg  Mg135  1  0.114622  0.987122  0.417644  1
  Mg  Mg136  1  0.447938  0.458200  0.448922  1
  Mg  Mg137  1  0.614622  0.487122  0.417644  1
  Mg  Mg138  1  0.281271  0.958200  0.448922  1
  Mg  Mg139  1  0.447955  0.987122  0.417644  1
  Mg  Mg140  1  0.781271  0.458200  0.448922  1
  Mg  Mg141  1  0.947955  0.487122  0.417644  1
  Mg  Mg142  1  0.614604  0.958200  0.448922  1
  Mg  Mg143  1  0.781288  0.987122  0.417644  1
  Mg  Mg144  1  0.947938  0.958200  0.448922  1
  Mg  Mg145  1  1.002834  0.561375  0.472569  1
  Mg  Mg146  1  0.169510  0.532386  0.503932  1
  Mg  Mg147  1  0.002844  0.032386  0.503932  1
  Mg  Mg148  1  0.336167  0.561375  0.472569  1
  Mg  Mg149  1  0.502844  0.532386  0.503932  1
  Mg  Mg150  1  0.169500  0.061375  0.472569  1
  Mg  Mg151  1  0.336177  0.032386  0.503932  1
  Mg  Mg152  1  0.669500  0.561375  0.472569  1
  Mg  Mg153  1  0.836177  0.532386  0.503932  1
  Mg  Mg154  1  0.502834  0.061375  0.472569  1
  Mg  Mg155  1  0.669510  0.032386  0.503932  1
  Mg  Mg156  1  0.836167  0.061375  0.472569  1
  Mg  Mg157  1  0.057707  0.164708  0.495988  1
  Mg  Mg158  1  0.224416  0.135717  0.527358  1
  Mg  Mg159  1  0.057749  0.635717  0.527358  1
  Mg  Mg160  1  0.391041  0.164708  0.495988  1
  Mg  Mg161  1  0.557749  0.135717  0.527358  1
  Mg  Mg162  1  0.224374  0.664708  0.495988  1
  Mg  Mg163  1  0.391083  0.635717  0.527358  1
  Mg  Mg164  1  0.724374  0.164708  0.495988  1
  Mg  Mg165  1  0.891083  0.135717  0.527358  1
  Mg  Mg166  1  0.557707  0.664708  0.495988  1
  Mg  Mg167  1  0.724416  0.635717  0.527358  1
  Mg  Mg168  1  0.891041  0.664708  0.495988  1
  Mg  Mg169  1  0.002878  0.296908  0.488172  1
  Mg  Mg170  1  0.169569  0.267957  0.519569  1
  Mg  Mg171  1  0.002902  0.767957  0.519569  1
  Mg  Mg172  1  0.336212  0.296908  0.488172  1
  Mg  Mg173  1  0.502902  0.267957  0.519569  1
  Mg  Mg174  1  0.169545  0.796908  0.488172  1
  Mg  Mg175  1  0.336235  0.767957  0.519569  1
  Mg  Mg176  1  0.669545  0.296908  0.488172  1
  Mg  Mg177  1  0.836235  0.267957  0.519569  1
  Mg  Mg178  1  0.502878  0.796908  0.488172  1
  Mg  Mg179  1  0.669569  0.767957  0.519569  1
  Mg  Mg180  1  0.836212  0.796908  0.488172  1
  Mg  Mg181  1  0.114722  0.400150  0.511790  1
  Mg  Mg182  1  0.281330  0.429095  0.480384  1
  Mg  Mg183  1  0.114663  0.929095  0.480384  1
  Mg  Mg184  1  0.448055  0.400150  0.511790  1
  Mg  Mg185  1  0.614663  0.429095  0.480384  1
  Mg  Mg186  1  0.281388  0.900150  0.511790  1
  Mg  Mg187  1  0.447996  0.929095  0.480384  1
  Mg  Mg188  1  0.781388  0.400150  0.511790  1
  Mg  Mg189  1  0.947996  0.429095  0.480384  1
  Mg  Mg190  1  0.614722  0.900150  0.511790  1
  Mg  Mg191  1  0.781330  0.929095  0.480384  1
  Mg  Mg192  1  0.948055  0.900150  0.511790  1
  Mg  Mg193  1  1.002800  0.503322  0.535311  1
  Mg  Mg194  1  0.169525  0.474350  0.566788  1
  Mg  Mg195  1  0.002858  0.974350  0.566788  1
  Mg  Mg196  1  0.336133  0.503322  0.535311  1
  Mg  Mg197  1  0.502858  0.474350  0.566788  1
  Mg  Mg198  1  0.169466  0.003322  0.535311  1
  Mg  Mg199  1  0.336191  0.974350  0.566788  1
  Mg  Mg200  1  0.669466  0.503322  0.535311  1
  Mg  Mg201  1  0.836191  0.474350  0.566788  1
  Mg  Mg202  1  0.502800  0.003322  0.535311  1
  Mg  Mg203  1  0.669525  0.974350  0.566788  1
  Mg  Mg204  1  0.836133  0.003322  0.535311  1
  Mg  Mg205  1  0.057753  0.106733  0.558847  1
  Mg  Mg206  1  0.224492  0.077705  0.590007  1
  Mg  Mg207  1  0.057826  0.577705  0.590007  1
  Mg  Mg208  1  0.391086  0.106733  0.558847  1
  Mg  Mg209  1  0.557826  0.077705  0.590007  1
  Mg  Mg210  1  0.224419  0.606733  0.558847  1
  Mg  Mg211  1  0.391159  0.577705  0.590007  1
  Mg  Mg212  1  0.724419  0.106733  0.558847  1
  Mg  Mg213  1  0.891159  0.077705  0.590007  1
  Mg  Mg214  1  0.557753  0.606733  0.558847  1
  Mg  Mg215  1  0.724492  0.577705  0.590007  1
  Mg  Mg216  1  0.891086  0.606733  0.558847  1
  Mg  Mg217  1  0.003009  0.238894  0.551037  1
  Mg  Mg218  1  0.169767  0.209928  0.582294  1
  Mg  Mg219  1  0.003100  0.709928  0.582294  1
  Mg  Mg220  1  0.336342  0.238894  0.551037  1
  Mg  Mg221  1  0.503100  0.209928  0.582294  1
  Mg  Mg222  1  0.169675  0.738894  0.551037  1
  Mg  Mg223  1  0.336434  0.709928  0.582294  1
  Mg  Mg224  1  0.669675  0.238894  0.551037  1
  Mg  Mg225  1  0.836434  0.209928  0.582294  1
  Mg  Mg226  1  0.503009  0.738894  0.551037  1
  Mg  Mg227  1  0.669767  0.709928  0.582294  1
  Mg  Mg228  1  0.836342  0.738894  0.551037  1
  Mg  Mg229  1  0.114982  0.342135  0.574639  1
  Mg  Mg230  1  0.281461  0.371014  0.543210  1
  Mg  Mg231  1  0.114795  0.871014  0.543210  1
  Mg  Mg232  1  0.448316  0.342135  0.574639  1
  Mg  Mg233  1  0.614795  0.371014  0.543210  1
  Mg  Mg234  1  0.281649  0.842135  0.574639  1
  Mg  Mg235  1  0.448128  0.871014  0.543210  1
  Mg  Mg236  1  0.781649  0.342135  0.574639  1
  Mg  Mg237  1  0.948128  0.371014  0.543210  1
  Mg  Mg238  1  0.614982  0.842135  0.574639  1
  Mg  Mg239  1  0.781461  0.871014  0.543210  1
  Mg  Mg240  1  0.948316  0.842135  0.574639  1
  Mg  Mg241  1  1.002707  0.445105  0.598088  1
  Mg  Mg242  1  0.169598  0.416340  0.629729  1
  Mg  Mg243  1  0.002932  0.916340  0.629729  1
  Mg  Mg244  1  0.336041  0.445105  0.598088  1
  Mg  Mg245  1  0.502932  0.416340  0.629729  1
  Mg  Mg246  1  0.169374  0.945105  0.598088  1
  Mg  Mg247  1  0.336265  0.916340  0.629729  1
  Mg  Mg248  1  0.669374  0.445105  0.598088  1
  Mg  Mg249  1  0.836265  0.416340  0.629729  1
  Mg  Mg250  1  0.502707  0.945105  0.598088  1
  Mg  Mg251  1  0.669598  0.916340  0.629729  1
  Mg  Mg252  1  0.836041  0.945105  0.598088  1
  Mg  Mg253  1  0.057689  0.048777  0.621685  1
  Mg  Mg254  1  0.224208  0.019564  0.652254  1
  Mg  Mg255  1  0.057542  0.519564  0.652254  1
  Mg  Mg256  1  0.391023  0.048777  0.621685  1
  Mg  Mg257  1  0.557542  0.019564  0.652254  1
  Mg  Mg258  1  0.224356  0.548777  0.621685  1
  Mg  Mg259  1  0.390875  0.519564  0.652254  1
  Mg  Mg260  1  0.724356  0.048777  0.621685  1
  Mg  Mg261  1  0.890875  0.019564  0.652254  1
  Mg  Mg262  1  0.557689  0.548777  0.621685  1
  Mg  Mg263  1  0.724208  0.519564  0.652254  1
  Mg  Mg264  1  0.891023  0.548777  0.621685  1
  Mg  Mg265  1  0.003138  0.180985  0.614029  1
  Mg  Mg266  1  0.170021  0.151865  0.644776  1
  Mg  Mg267  1  0.003354  0.651865  0.644776  1
  Mg  Mg268  1  0.336471  0.180985  0.614029  1
  Mg  Mg269  1  0.503354  0.151865  0.644776  1
  Mg  Mg270  1  0.169805  0.680985  0.614029  1
  Mg  Mg271  1  0.336687  0.651865  0.644776  1
  Mg  Mg272  1  0.669805  0.180985  0.614029  1
  Mg  Mg273  1  0.836687  0.151865  0.644776  1
  Mg  Mg274  1  0.503138  0.680985  0.614029  1
  Mg  Mg275  1  0.670021  0.651865  0.644776  1
  Mg  Mg276  1  0.836471  0.680985  0.614029  1
  Mg  Mg277  1  0.115767  0.284016  0.637277  1
  Mg  Mg278  1  0.281791  0.312861  0.606162  1
  Mg  Mg279  1  0.115124  0.812861  0.606162  1
  Mg  Mg280  1  0.449101  0.284016  0.637277  1
  Mg  Mg281  1  0.615124  0.312861  0.606162  1
  Mg  Mg282  1  0.282434  0.784016  0.637277  1
  Mg  Mg283  1  0.448457  0.812861  0.606162  1
  Mg  Mg284  1  0.782434  0.284016  0.637277  1
  Mg  Mg285  1  0.948457  0.312861  0.606162  1
  Mg  Mg286  1  0.615767  0.784016  0.637277  1
  Mg  Mg287  1  0.781791  0.812861  0.606162  1
  Mg  Mg288  1  0.949101  0.784016  0.637277  1
  Mg  Mg289  1  1.002729  0.386632  0.660946  1
  Mg  Mg290  1  0.169141  0.358334  0.692069  1
  Mg  Mg291  1  1.002474  0.858334  0.692069  1
  Mg  Mg292  1  0.336063  0.386632  0.660946  1
  Mg  Mg293  1  0.502474  0.358334  0.692069  1
  Mg  Mg294  1  0.169396  0.886632  0.660946  1
  Mg  Mg295  1  0.335807  0.858334  0.692069  1
  Mg  Mg296  1  0.669396  0.386632  0.660946  1
  Mg  Mg297  1  0.835807  0.358334  0.692069  1
  Mg  Mg298  1  0.502729  0.886632  0.660946  1
  Mg  Mg299  1  0.669141  0.858334  0.692069  1
  Mg  Mg300  1  0.836063  0.886632  0.660946  1
  Mg  Mg301  1  0.057373  0.991068  0.684508  1
  Mg  Mg302  1  0.224832  0.962253  0.712980  1
  Mg  Mg303  1  0.058165  0.462253  0.712980  1
  Mg  Mg304  1  0.390707  0.991068  0.684508  1
  Mg  Mg305  1  0.558165  0.962253  0.712980  1
  Mg  Mg306  1  0.224040  0.491068  0.684508  1
  Mg  Mg307  1  0.391498  0.462253  0.712980  1
  Mg  Mg308  1  0.724040  0.991068  0.684508  1
  Mg  Mg309  1  0.891498  0.962253  0.712980  1
  Mg  Mg310  1  0.557373  0.491068  0.684508  1
  Mg  Mg311  1  0.724832  0.462253  0.712980  1
  Mg  Mg312  1  0.890707  0.491068  0.684508  1
  Mg  Mg313  1  0.003194  0.122758  0.676918  1
  Mg  Mg314  1  0.171296  0.093587  0.706250  1
  Mg  Mg315  1  0.004630  0.593587  0.706250  1
  Mg  Mg316  1  0.336528  0.122758  0.676918  1
  Mg  Mg317  1  0.504630  0.093587  0.706250  1
  Mg  Mg318  1  0.169861  0.622758  0.676918  1
  Mg  Mg319  1  0.337963  0.593587  0.706250  1
  Mg  Mg320  1  0.669861  0.122758  0.676918  1
  Mg  Mg321  1  0.837963  0.093587  0.706250  1
  Mg  Mg322  1  0.503194  0.622758  0.676918  1
  Mg  Mg323  1  0.671296  0.593587  0.706250  1
  Mg  Mg324  1  0.836528  0.622758  0.676918  1
  Mg  Mg325  1  0.116023  0.225483  0.698759  1
  Mg  Mg326  1  0.282628  0.255007  0.669477  1
  Mg  Mg327  1  0.115961  0.755007  0.669477  1
  Mg  Mg328  1  0.449356  0.225483  0.698759  1
  Mg  Mg329  1  0.615961  0.255007  0.669477  1
  Mg  Mg330  1  0.282689  0.725483  0.698759  1
  Mg  Mg331  1  0.449295  0.755007  0.669477  1
  Mg  Mg332  1  0.782689  0.225483  0.698759  1
  Mg  Mg333  1  0.949295  0.255007  0.669477  1
  Mg  Mg334  1  0.616023  0.725483  0.698759  1
  Mg  Mg335  1  0.782628  0.755007  0.669477  1
  Mg  Mg336  1  0.949356  0.725483  0.698759  1
