# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.90697340
_cell_length_b   17.71329300
_cell_length_c   20.74733723
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.94827556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg239
_cell_volume   5455.69725376
_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  0.000004  0.000005  0.500000  1
  Mg  Mg2  1  0.832496  0.167510  0.999998  1
  Mg  Mg3  1  0.833308  0.166700  0.500003  1
  Mg  Mg4  1  0.666593  0.333414  0.000002  1
  Mg  Mg5  1  0.666665  0.333342  0.500001  1
  Mg  Mg6  1  0.500004  0.500005  -0.000000  1
  Mg  Mg7  1  0.500004  0.500005  0.500000  1
  Mg  Mg8  1  0.333415  0.666596  0.999998  1
  Mg  Mg9  1  0.333343  0.666668  0.499999  1
  Mg  Mg10  1  0.167512  0.832500  0.000002  1
  Mg  Mg11  1  0.166700  0.833309  0.499997  1
  Mg  Mg12  1  0.200996  0.000010  0.000001  1
  Mg  Mg13  1  0.200040  0.000005  0.500000  1
  Mg  Mg14  1  0.033507  0.167526  0.999998  1
  Mg  Mg15  1  0.033343  0.166701  0.500004  1
  Mg  Mg16  1  0.866666  0.333328  0.999984  1
  Mg  Mg17  1  0.866672  0.333332  0.499973  1
  Mg  Mg18  1  0.700000  0.499999  1.000000  1
  Mg  Mg19  1  0.699998  0.500001  0.499968  1
  Mg  Mg20  1  0.533334  0.666677  0.999994  1
  Mg  Mg21  1  0.533335  0.666667  0.499965  1
  Mg  Mg22  1  0.366671  0.833334  0.999985  1
  Mg  Mg23  1  0.366664  0.833343  0.499966  1
  Mg  Mg24  1  0.400051  0.000005  0.000000  1
  Mg  Mg25  1  0.400009  0.000005  0.500000  1
  Mg  Mg26  1  0.233336  0.166681  0.000017  1
  Mg  Mg27  1  0.233335  0.166668  0.500035  1
  Mg  Mg28  1  0.066694  0.333429  0.000000  1
  Mg  Mg29  1  0.066671  0.333344  0.500008  1
  Mg  Mg30  1  0.900000  0.499950  0.999996  1
  Mg  Mg31  1  0.900010  0.500002  0.499977  1
  Mg  Mg32  1  0.733341  0.666665  0.999990  1
  Mg  Mg33  1  0.733342  0.666665  0.499962  1
  Mg  Mg34  1  0.566667  0.833351  0.999992  1
  Mg  Mg35  1  0.566665  0.833350  0.499955  1
  Mg  Mg36  1  0.599956  1.000005  1.000000  1
  Mg  Mg37  1  0.599999  1.000004  0.500000  1
  Mg  Mg38  1  0.433341  0.166659  0.000008  1
  Mg  Mg39  1  0.433342  0.166659  0.500045  1
  Mg  Mg40  1  0.266667  0.333344  0.000010  1
  Mg  Mg41  1  0.266666  0.333345  0.500038  1
  Mg  Mg42  1  0.100008  0.500059  0.000004  1
  Mg  Mg43  1  0.099997  0.500007  0.500023  1
  Mg  Mg44  1  0.933314  0.666581  1.000000  1
  Mg  Mg45  1  0.933337  0.666665  0.499992  1
  Mg  Mg46  1  0.766671  0.833329  0.999983  1
  Mg  Mg47  1  0.766673  0.833341  0.499965  1
  Mg  Mg48  1  0.799012  0.999999  0.999999  1
  Mg  Mg49  1  0.799968  1.000004  0.500000  1
  Mg  Mg50  1  0.633336  0.166675  0.000015  1
  Mg  Mg51  1  0.633344  0.166666  0.500034  1
  Mg  Mg52  1  0.466673  0.333332  0.000006  1
  Mg  Mg53  1  0.466673  0.333343  0.500035  1
  Mg  Mg54  1  0.300008  0.500011  0.000000  1
  Mg  Mg55  1  0.300010  0.500008  0.500032  1
  Mg  Mg56  1  0.133342  0.666681  0.000016  1
  Mg  Mg57  1  0.133336  0.666677  0.500027  1
  Mg  Mg58  1  0.966500  0.832483  0.000002  1
  Mg  Mg59  1  0.966665  0.833309  0.499996  1
  Mg  Mg60  1  0.077837  0.055596  0.375102  1
  Mg  Mg61  1  0.078096  0.055795  0.874296  1
  Mg  Mg62  1  0.911129  0.222188  0.374952  1
  Mg  Mg63  1  0.910919  0.222726  0.874756  1
  Mg  Mg64  1  0.744459  0.388876  0.374969  1
  Mg  Mg65  1  0.744397  0.388941  0.875005  1
  Mg  Mg66  1  0.577781  0.555564  0.374969  1
  Mg  Mg67  1  0.577779  0.555556  0.874999  1
  Mg  Mg68  1  0.411095  0.722243  0.374967  1
  Mg  Mg69  1  0.411171  0.722173  0.875002  1
  Mg  Mg70  1  0.244410  0.888912  0.374946  1
  Mg  Mg71  1  0.244983  0.888650  0.874758  1
  Mg  Mg72  1  0.277796  0.055570  0.374998  1
  Mg  Mg73  1  0.277764  0.055539  0.875027  1
  Mg  Mg74  1  0.111127  0.222230  0.375006  1
  Mg  Mg75  1  0.111089  0.222230  0.875027  1
  Mg  Mg76  1  0.944452  0.388870  0.374973  1
  Mg  Mg77  1  0.944459  0.388961  0.875003  1
  Mg  Mg78  1  0.777786  0.555559  0.374968  1
  Mg  Mg79  1  0.777777  0.555535  0.874997  1
  Mg  Mg80  1  0.611113  0.722237  0.374966  1
  Mg  Mg81  1  0.611115  0.722224  0.874996  1
  Mg  Mg82  1  0.444431  0.888906  0.374959  1
  Mg  Mg83  1  0.444494  0.888883  0.875005  1
  Mg  Mg84  1  0.477782  0.055561  0.374990  1
  Mg  Mg85  1  0.477786  0.055545  0.875029  1
  Mg  Mg86  1  0.311134  0.222246  0.375060  1
  Mg  Mg87  1  0.311085  0.222191  0.875037  1
  Mg  Mg88  1  0.144447  0.388885  0.375008  1
  Mg  Mg89  1  0.144445  0.388908  0.875020  1
  Mg  Mg90  1  0.977781  0.555551  0.374981  1
  Mg  Mg91  1  0.977784  0.555603  0.875013  1
  Mg  Mg92  1  0.811125  0.722240  0.374965  1
  Mg  Mg93  1  0.811096  0.722169  0.874999  1
  Mg  Mg94  1  0.644458  0.888905  0.374959  1
  Mg  Mg95  1  0.644408  0.888884  0.875004  1
  Mg  Mg96  1  0.677760  0.055571  0.374998  1
  Mg  Mg97  1  0.677818  0.055535  0.875026  1
  Mg  Mg98  1  0.511085  0.222244  0.375060  1
  Mg  Mg99  1  0.511170  0.222186  0.875036  1
  Mg  Mg100  1  0.344450  0.388902  0.375028  1
  Mg  Mg101  1  0.344446  0.388880  0.875015  1
  Mg  Mg102  1  0.177792  0.555524  0.375049  1
  Mg  Mg103  1  0.177761  0.555629  0.875028  1
  Mg  Mg104  1  0.011122  0.722203  0.374995  1
  Mg  Mg105  1  0.011093  0.722272  0.875026  1
  Mg  Mg106  1  0.844472  0.888911  0.374946  1
  Mg  Mg107  1  0.844110  0.888645  0.874756  1
  Mg  Mg108  1  0.877694  0.055598  0.375102  1
  Mg  Mg109  1  0.877288  0.055788  0.874295  1
  Mg  Mg110  1  0.711097  0.222236  0.375002  1
  Mg  Mg111  1  0.711149  0.222215  0.875027  1
  Mg  Mg112  1  0.544449  0.388897  0.374996  1
  Mg  Mg113  1  0.544456  0.388878  0.875014  1
  Mg  Mg114  1  0.377784  0.555566  0.374996  1
  Mg  Mg115  1  0.377772  0.555565  0.875011  1
  Mg  Mg116  1  0.211121  0.722206  0.374998  1
  Mg  Mg117  1  0.211112  0.722264  0.875025  1
  Mg  Mg118  1  0.044480  0.888811  0.375099  1
  Mg  Mg119  1  0.044627  0.888453  0.874300  1
  Mg  Mg120  1  1.000003  0.999999  0.250631  1
  Mg  Mg121  1  0.000005  0.000011  0.749369  1
  Mg  Mg122  1  0.833336  0.166585  0.249963  1
  Mg  Mg123  1  0.833434  0.166665  0.750038  1
  Mg  Mg124  1  0.666701  0.333305  0.249975  1
  Mg  Mg125  1  0.666707  0.333303  0.750027  1
  Mg  Mg126  1  0.500005  0.500011  0.249986  1
  Mg  Mg127  1  0.500003  0.499999  0.750014  1
  Mg  Mg128  1  0.333301  0.666707  0.249973  1
  Mg  Mg129  1  0.333307  0.666705  0.750025  1
  Mg  Mg130  1  0.166574  0.833345  0.249961  1
  Mg  Mg131  1  0.166672  0.833424  0.750037  1
  Mg  Mg132  1  0.199921  0.000076  0.249962  1
  Mg  Mg133  1  0.199979  0.999934  0.750038  1
  Mg  Mg134  1  0.033405  0.166579  0.249964  1
  Mg  Mg135  1  0.033251  0.166667  0.750039  1
  Mg  Mg136  1  0.866697  0.333271  0.249962  1
  Mg  Mg137  1  0.866634  0.333445  0.749919  1
  Mg  Mg138  1  0.700020  0.499993  0.249972  1
  Mg  Mg139  1  0.699998  0.500004  0.749987  1
  Mg  Mg140  1  0.533319  0.666697  0.249969  1
  Mg  Mg141  1  0.533345  0.666664  0.749986  1
  Mg  Mg142  1  0.366606  0.833375  0.249956  1
  Mg  Mg143  1  0.366772  0.833287  0.749915  1
  Mg  Mg144  1  0.399973  0.000015  0.249965  1
  Mg  Mg145  1  0.399978  0.999994  0.750035  1
  Mg  Mg146  1  0.233401  0.166721  0.250087  1
  Mg  Mg147  1  0.233299  0.166638  0.750044  1
  Mg  Mg148  1  0.066669  0.333285  0.249979  1
  Mg  Mg149  1  0.066660  0.333317  0.750032  1
  Mg  Mg150  1  0.900007  0.499984  0.249972  1
  Mg  Mg151  1  0.900007  0.500037  0.749999  1
  Mg  Mg152  1  0.733345  0.666693  0.249968  1
  Mg  Mg153  1  0.733331  0.666660  0.749985  1
  Mg  Mg154  1  0.566666  0.833357  0.249957  1
  Mg  Mg155  1  0.566672  0.833331  0.749985  1
  Mg  Mg156  1  0.600029  0.000015  0.249965  1
  Mg  Mg157  1  0.600035  0.999995  0.750034  1
  Mg  Mg158  1  0.433336  0.166679  0.250015  1
  Mg  Mg159  1  0.433342  0.166652  0.750043  1
  Mg  Mg160  1  0.266677  0.333350  0.250015  1
  Mg  Mg161  1  0.266663  0.333317  0.750032  1
  Mg  Mg162  1  0.100000  0.499972  0.250001  1
  Mg  Mg163  1  0.100000  0.500026  0.750028  1
  Mg  Mg164  1  0.933347  0.666692  0.249968  1
  Mg  Mg165  1  0.933339  0.666724  0.750021  1
  Mg  Mg166  1  0.766709  0.833371  0.249956  1
  Mg  Mg167  1  0.766607  0.833288  0.749913  1
  Mg  Mg168  1  0.800029  0.000076  0.249962  1
  Mg  Mg169  1  0.800087  0.999933  0.750038  1
  Mg  Mg170  1  0.633236  0.166722  0.250085  1
  Mg  Mg171  1  0.633401  0.166635  0.750044  1
  Mg  Mg172  1  0.466663  0.333346  0.250014  1
  Mg  Mg173  1  0.466689  0.333312  0.750031  1
  Mg  Mg174  1  0.300010  0.500005  0.250012  1
  Mg  Mg175  1  0.299988  0.500017  0.750028  1
  Mg  Mg176  1  0.133374  0.666565  0.250081  1
  Mg  Mg177  1  0.133311  0.666739  0.750038  1
  Mg  Mg178  1  0.966757  0.833342  0.249961  1
  Mg  Mg179  1  0.966603  0.833430  0.750036  1
  Mg  Mg180  1  0.955381  0.111557  0.125700  1
  Mg  Mg181  1  0.955528  0.111199  0.624901  1
  Mg  Mg182  1  0.788896  0.277745  0.124974  1
  Mg  Mg183  1  0.788887  0.277803  0.625002  1
  Mg  Mg184  1  0.622236  0.444445  0.124989  1
  Mg  Mg185  1  0.622224  0.444444  0.625004  1
  Mg  Mg186  1  0.455551  0.611132  0.124986  1
  Mg  Mg187  1  0.455559  0.611112  0.625004  1
  Mg  Mg188  1  0.288859  0.777794  0.124973  1
  Mg  Mg189  1  0.288911  0.777773  0.624998  1
  Mg  Mg190  1  0.122720  0.944221  0.125705  1
  Mg  Mg191  1  0.122314  0.944411  0.624898  1
  Mg  Mg192  1  0.155898  0.111365  0.125244  1
  Mg  Mg193  1  0.155536  0.111098  0.625054  1
  Mg  Mg194  1  0.988914  0.277738  0.124974  1
  Mg  Mg195  1  0.988886  0.277806  0.625004  1
  Mg  Mg196  1  0.822247  0.444380  0.124972  1
  Mg  Mg197  1  0.822216  0.444485  0.624951  1
  Mg  Mg198  1  0.655562  0.611130  0.124985  1
  Mg  Mg199  1  0.655558  0.611108  0.624972  1
  Mg  Mg200  1  0.488838  0.777823  0.124964  1
  Mg  Mg201  1  0.488923  0.777765  0.624940  1
  Mg  Mg202  1  0.322190  0.944475  0.124974  1
  Mg  Mg203  1  0.322247  0.944439  0.625002  1
  Mg  Mg204  1  0.355600  0.111126  0.124996  1
  Mg  Mg205  1  0.355550  0.111104  0.625041  1
  Mg  Mg206  1  0.188912  0.277841  0.125001  1
  Mg  Mg207  1  0.188883  0.277770  0.625035  1
  Mg  Mg208  1  0.022224  0.444407  0.124987  1
  Mg  Mg209  1  0.022227  0.444459  0.625019  1
  Mg  Mg210  1  0.855562  0.611101  0.124979  1
  Mg  Mg211  1  0.855561  0.611125  0.624992  1
  Mg  Mg212  1  0.688922  0.777818  0.124963  1
  Mg  Mg213  1  0.688874  0.777764  0.624940  1
  Mg  Mg214  1  0.522222  0.944464  0.124971  1
  Mg  Mg215  1  0.522226  0.944448  0.625010  1
  Mg  Mg216  1  0.555514  0.111126  0.124995  1
  Mg  Mg217  1  0.555577  0.111104  0.625041  1
  Mg  Mg218  1  0.388893  0.277785  0.125004  1
  Mg  Mg219  1  0.388895  0.277772  0.625034  1
  Mg  Mg220  1  0.222231  0.444475  0.125003  1
  Mg  Mg221  1  0.222222  0.444450  0.625032  1
  Mg  Mg222  1  0.055549  0.611048  0.124997  1
  Mg  Mg223  1  0.055556  0.611139  0.625027  1
  Mg  Mg224  1  0.888918  0.777779  0.124973  1
  Mg  Mg225  1  0.888881  0.777780  0.624994  1
  Mg  Mg226  1  0.722244  0.944471  0.124973  1
  Mg  Mg227  1  0.722212  0.944439  0.625002  1
  Mg  Mg228  1  0.755025  0.111360  0.125242  1
  Mg  Mg229  1  0.755598  0.111098  0.625054  1
  Mg  Mg230  1  0.588837  0.277837  0.124998  1
  Mg  Mg231  1  0.588913  0.277766  0.625033  1
  Mg  Mg232  1  0.422228  0.444453  0.125001  1
  Mg  Mg233  1  0.422227  0.444446  0.625031  1
  Mg  Mg234  1  0.255611  0.611068  0.124995  1
  Mg  Mg235  1  0.255548  0.611134  0.625031  1
  Mg  Mg236  1  0.089088  0.777283  0.125244  1
  Mg  Mg237  1  0.088879  0.777822  0.625048  1
  Mg  Mg238  1  0.921912  0.944215  0.125704  1
  Mg  Mg239  1  0.922171  0.944413  0.624898  1
