# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.90820472
_cell_length_b   17.71467878
_cell_length_c   20.75115465
_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   5457.55040245
_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  0.999987  -0.000024  0.499969  1
  Mg  Mg2  1  0.831638  0.168312  0.999965  1
  Mg  Mg3  1  0.833285  0.166675  0.499973  1
  Mg  Mg4  1  0.666412  0.333545  -0.000028  1
  Mg  Mg5  1  0.666632  0.333327  0.499969  1
  Mg  Mg6  1  0.499987  0.499976  -0.000031  1
  Mg  Mg7  1  0.499987  0.499976  0.499969  1
  Mg  Mg8  1  0.333562  0.666406  0.999965  1
  Mg  Mg9  1  0.333342  0.666624  0.499968  1
  Mg  Mg10  1  0.168335  0.831640  -0.000028  1
  Mg  Mg11  1  0.166689  0.833276  0.499965  1
  Mg  Mg12  1  0.201956  -0.000010  -0.000030  1
  Mg  Mg13  1  0.200029  -0.000022  0.499968  1
  Mg  Mg14  1  0.033660  0.168358  0.999965  1
  Mg  Mg15  1  0.033326  0.166678  0.499974  1
  Mg  Mg16  1  0.866623  0.333321  0.999962  1
  Mg  Mg17  1  0.866650  0.333313  0.499918  1
  Mg  Mg18  1  0.699970  0.499971  -0.000027  1
  Mg  Mg19  1  0.699972  0.499977  0.499921  1
  Mg  Mg20  1  0.533324  0.666641  0.999965  1
  Mg  Mg21  1  0.533324  0.666629  0.499919  1
  Mg  Mg22  1  0.366697  0.833282  0.999964  1
  Mg  Mg23  1  0.366659  0.833309  0.499908  1
  Mg  Mg24  1  0.400159  -0.000023  -0.000031  1
  Mg  Mg25  1  0.400008  -0.000023  0.499969  1
  Mg  Mg26  1  0.233344  0.166686  -0.000024  1
  Mg  Mg27  1  0.233326  0.166647  0.500029  1
  Mg  Mg28  1  0.066719  0.333588  0.999967  1
  Mg  Mg29  1  0.066657  0.333333  0.499978  1
  Mg  Mg30  1  0.899970  0.499848  0.999966  1
  Mg  Mg31  1  0.899995  0.499977  0.499934  1
  Mg  Mg32  1  0.733322  0.666617  0.999957  1
  Mg  Mg33  1  0.733324  0.666626  0.499916  1
  Mg  Mg34  1  0.566649  0.833323  0.999963  1
  Mg  Mg35  1  0.566648  0.833322  0.499899  1
  Mg  Mg36  1  0.599815  0.999974  0.999968  1
  Mg  Mg37  1  0.599966  0.999975  0.499969  1
  Mg  Mg38  1  0.433325  0.166629  -0.000026  1
  Mg  Mg39  1  0.433326  0.166630  0.500038  1
  Mg  Mg40  1  0.266652  0.333335  -0.000020  1
  Mg  Mg41  1  0.266650  0.333326  0.500021  1
  Mg  Mg42  1  0.100004  0.500104  -0.000029  1
  Mg  Mg43  1  0.099979  0.499975  0.500004  1
  Mg  Mg44  1  0.933255  0.666363  -0.000030  1
  Mg  Mg45  1  0.933317  0.666619  0.499959  1
  Mg  Mg46  1  0.766630  0.833265  0.999961  1
  Mg  Mg47  1  0.766648  0.833304  0.499908  1
  Mg  Mg48  1  0.798018  0.999961  0.999967  1
  Mg  Mg49  1  0.799945  0.999974  0.499969  1
  Mg  Mg50  1  0.633277  0.166670  -0.000027  1
  Mg  Mg51  1  0.633315  0.166642  0.500029  1
  Mg  Mg52  1  0.466650  0.333310  -0.000027  1
  Mg  Mg53  1  0.466649  0.333322  0.500019  1
  Mg  Mg54  1  0.300004  0.499980  0.999964  1
  Mg  Mg55  1  0.300002  0.499974  0.500016  1
  Mg  Mg56  1  0.133351  0.666631  -0.000025  1
  Mg  Mg57  1  0.133324  0.666638  0.500020  1
  Mg  Mg58  1  0.966314  0.831593  -0.000027  1
  Mg  Mg59  1  0.966647  0.833273  0.499963  1
  Mg  Mg60  1  0.077826  0.055572  0.375086  1
  Mg  Mg61  1  0.078454  0.056044  0.873622  1
  Mg  Mg62  1  0.911115  0.222147  0.374922  1
  Mg  Mg63  1  0.910758  0.223057  0.874502  1
  Mg  Mg64  1  0.744435  0.388847  0.374932  1
  Mg  Mg65  1  0.744360  0.388907  0.874990  1
  Mg  Mg66  1  0.577762  0.555535  0.374926  1
  Mg  Mg67  1  0.577762  0.555527  0.874969  1
  Mg  Mg68  1  0.411080  0.722211  0.374928  1
  Mg  Mg69  1  0.411156  0.722127  0.874986  1
  Mg  Mg70  1  0.244383  0.888889  0.374913  1
  Mg  Mg71  1  0.245358  0.888445  0.874507  1
  Mg  Mg72  1  0.277800  0.055565  0.375013  1
  Mg  Mg73  1  0.277778  0.055513  0.874981  1
  Mg  Mg74  1  0.111135  0.222217  0.375022  1
  Mg  Mg75  1  0.111081  0.222248  0.874982  1
  Mg  Mg76  1  0.944440  0.388836  0.374937  1
  Mg  Mg77  1  0.944459  0.388928  0.874983  1
  Mg  Mg78  1  0.777769  0.555526  0.374925  1
  Mg  Mg79  1  0.777760  0.555475  0.874970  1
  Mg  Mg80  1  0.611096  0.722208  0.374923  1
  Mg  Mg81  1  0.611095  0.722203  0.874970  1
  Mg  Mg82  1  0.444414  0.888884  0.374915  1
  Mg  Mg83  1  0.444470  0.888865  0.874991  1
  Mg  Mg84  1  0.477761  0.055544  0.374959  1
  Mg  Mg85  1  0.477772  0.055508  0.874997  1
  Mg  Mg86  1  0.311139  0.222241  0.375064  1
  Mg  Mg87  1  0.311050  0.222146  0.875019  1
  Mg  Mg88  1  0.144437  0.388858  0.374976  1
  Mg  Mg89  1  0.144431  0.388912  0.874990  1
  Mg  Mg90  1  0.977769  0.555507  0.374945  1
  Mg  Mg91  1  0.977763  0.555573  0.874981  1
  Mg  Mg92  1  0.811111  0.722202  0.374926  1
  Mg  Mg93  1  0.811087  0.722113  0.874983  1
  Mg  Mg94  1  0.644437  0.888882  0.374915  1
  Mg  Mg95  1  0.644390  0.888864  0.874989  1
  Mg  Mg96  1  0.677706  0.055562  0.375013  1
  Mg  Mg97  1  0.677771  0.055503  0.874980  1
  Mg  Mg98  1  0.511032  0.222235  0.375065  1
  Mg  Mg99  1  0.511185  0.222137  0.875017  1
  Mg  Mg100  1  0.344435  0.388880  0.374997  1
  Mg  Mg101  1  0.344429  0.388847  0.874987  1
  Mg  Mg102  1  0.177791  0.555460  0.375056  1
  Mg  Mg103  1  0.177737  0.555649  0.875002  1
  Mg  Mg104  1  0.011121  0.722133  0.375009  1
  Mg  Mg105  1  0.011069  0.722209  0.874982  1
  Mg  Mg106  1  0.844460  0.888884  0.374914  1
  Mg  Mg107  1  0.843845  0.888428  0.874505  1
  Mg  Mg108  1  0.877666  0.055572  0.375086  1
  Mg  Mg109  1  0.876679  0.056027  0.873620  1
  Mg  Mg110  1  0.711040  0.222223  0.375018  1
  Mg  Mg111  1  0.711097  0.222218  0.874982  1
  Mg  Mg112  1  0.544421  0.388873  0.374966  1
  Mg  Mg113  1  0.544432  0.388855  0.874979  1
  Mg  Mg114  1  0.377770  0.555532  0.374967  1
  Mg  Mg115  1  0.377764  0.555526  0.874973  1
  Mg  Mg116  1  0.211118  0.722142  0.375013  1
  Mg  Mg117  1  0.211132  0.722208  0.874979  1
  Mg  Mg118  1  0.044466  0.888770  0.375081  1
  Mg  Mg119  1  0.044826  0.887885  0.873628  1
  Mg  Mg120  1  0.999985  0.999968  0.250703  1
  Mg  Mg121  1  -0.000011  -0.000017  0.749234  1
  Mg  Mg122  1  0.833243  0.166558  0.250011  1
  Mg  Mg123  1  0.833424  0.166700  0.749928  1
  Mg  Mg124  1  0.666684  0.333262  0.249946  1
  Mg  Mg125  1  0.666705  0.333267  0.749994  1
  Mg  Mg126  1  0.499986  0.499983  0.249955  1
  Mg  Mg127  1  0.499987  0.499968  0.749983  1
  Mg  Mg128  1  0.333269  0.666685  0.249944  1
  Mg  Mg129  1  0.333290  0.666689  0.749991  1
  Mg  Mg130  1  0.166550  0.833252  0.250009  1
  Mg  Mg131  1  0.166731  0.833393  0.749927  1
  Mg  Mg132  1  0.199920  0.000110  0.250010  1
  Mg  Mg133  1  0.200026  0.999848  0.749928  1
  Mg  Mg134  1  0.033459  0.166555  0.250012  1
  Mg  Mg135  1  0.033177  0.166708  0.749928  1
  Mg  Mg136  1  0.866693  0.333202  0.249932  1
  Mg  Mg137  1  0.866584  0.333498  0.749804  1
  Mg  Mg138  1  0.700008  0.499958  0.249934  1
  Mg  Mg139  1  0.699978  0.499967  0.749959  1
  Mg  Mg140  1  0.533295  0.666679  0.249930  1
  Mg  Mg141  1  0.533329  0.666634  0.749960  1
  Mg  Mg142  1  0.366554  0.833364  0.249923  1
  Mg  Mg143  1  0.366841  0.833216  0.749802  1
  Mg  Mg144  1  0.399939  -0.000000  0.249934  1
  Mg  Mg145  1  0.399955  0.999952  0.750004  1
  Mg  Mg146  1  0.233438  0.166739  0.250137  1
  Mg  Mg147  1  0.233260  0.166595  0.750015  1
  Mg  Mg148  1  0.066662  0.333239  0.249950  1
  Mg  Mg149  1  0.066633  0.333292  0.750000  1
  Mg  Mg150  1  0.899990  0.499938  0.249935  1
  Mg  Mg151  1  0.899991  0.500010  0.749972  1
  Mg  Mg152  1  0.733330  0.666670  0.249927  1
  Mg  Mg153  1  0.733312  0.666620  0.749960  1
  Mg  Mg154  1  0.566647  0.833333  0.249913  1
  Mg  Mg155  1  0.566654  0.833302  0.749963  1
  Mg  Mg156  1  0.600019  -0.000001  0.249933  1
  Mg  Mg157  1  0.600034  0.999952  0.750004  1
  Mg  Mg158  1  0.433320  0.166649  0.249975  1
  Mg  Mg159  1  0.433326  0.166618  0.750025  1
  Mg  Mg160  1  0.266662  0.333332  0.249977  1
  Mg  Mg161  1  0.266644  0.333282  0.750011  1
  Mg  Mg162  1  0.099982  0.499941  0.249965  1
  Mg  Mg163  1  0.099984  0.500013  0.750003  1
  Mg  Mg164  1  0.933340  0.666659  0.249937  1
  Mg  Mg165  1  0.933312  0.666712  0.749988  1
  Mg  Mg166  1  0.766714  0.833356  0.249922  1
  Mg  Mg167  1  0.766536  0.833213  0.749800  1
  Mg  Mg168  1  0.799947  0.000104  0.250010  1
  Mg  Mg169  1  0.800053  0.999841  0.749927  1
  Mg  Mg170  1  0.633132  0.166735  0.250136  1
  Mg  Mg171  1  0.633420  0.166587  0.750014  1
  Mg  Mg172  1  0.466645  0.333317  0.249978  1
  Mg  Mg173  1  0.466678  0.333273  0.750008  1
  Mg  Mg174  1  0.299996  0.499985  0.249979  1
  Mg  Mg175  1  0.299966  0.499993  0.750004  1
  Mg  Mg176  1  0.133390  0.666453  0.250133  1
  Mg  Mg177  1  0.133281  0.666750  0.750005  1
  Mg  Mg178  1  0.966797  0.833243  0.250009  1
  Mg  Mg179  1  0.966515  0.833397  0.749926  1
  Mg  Mg180  1  0.955148  0.112067  0.126309  1
  Mg  Mg181  1  0.955508  0.111181  0.624856  1
  Mg  Mg182  1  0.788841  0.277743  0.124958  1
  Mg  Mg183  1  0.788856  0.277810  0.624925  1
  Mg  Mg184  1  0.622209  0.444425  0.124964  1
  Mg  Mg185  1  0.622204  0.444420  0.624970  1
  Mg  Mg186  1  0.455542  0.611097  0.124959  1
  Mg  Mg187  1  0.455553  0.611078  0.624972  1
  Mg  Mg188  1  0.288876  0.777733  0.124956  1
  Mg  Mg189  1  0.288933  0.777728  0.624920  1
  Mg  Mg190  1  0.123294  0.943925  0.126318  1
  Mg  Mg191  1  0.122308  0.944379  0.624852  1
  Mg  Mg192  1  0.156129  0.111523  0.125433  1
  Mg  Mg193  1  0.155513  0.111068  0.625023  1
  Mg  Mg194  1  0.988905  0.277742  0.124955  1
  Mg  Mg195  1  0.988853  0.277818  0.624929  1
  Mg  Mg196  1  0.822236  0.444302  0.124935  1
  Mg  Mg197  1  0.822183  0.444491  0.624882  1
  Mg  Mg198  1  0.655544  0.611105  0.124950  1
  Mg  Mg199  1  0.655539  0.611071  0.624941  1
  Mg  Mg200  1  0.488788  0.777815  0.124921  1
  Mg  Mg201  1  0.488942  0.777717  0.624872  1
  Mg  Mg202  1  0.322203  0.944448  0.124958  1
  Mg  Mg203  1  0.322268  0.944389  0.624925  1
  Mg  Mg204  1  0.355584  0.111087  0.124948  1
  Mg  Mg205  1  0.355537  0.111070  0.625022  1
  Mg  Mg206  1  0.188887  0.277838  0.124954  1
  Mg  Mg207  1  0.188863  0.277749  0.625011  1
  Mg  Mg208  1  0.022211  0.444379  0.124956  1
  Mg  Mg209  1  0.022205  0.444444  0.624993  1
  Mg  Mg210  1  0.855543  0.611040  0.124947  1
  Mg  Mg211  1  0.855537  0.611093  0.624961  1
  Mg  Mg212  1  0.688923  0.777806  0.124918  1
  Mg  Mg213  1  0.688835  0.777711  0.624874  1
  Mg  Mg214  1  0.522202  0.944443  0.124941  1
  Mg  Mg215  1  0.522213  0.944407  0.624978  1
  Mg  Mg216  1  0.555504  0.111087  0.124946  1
  Mg  Mg217  1  0.555560  0.111068  0.625022  1
  Mg  Mg218  1  0.388879  0.277748  0.124967  1
  Mg  Mg219  1  0.388878  0.277743  0.625015  1
  Mg  Mg220  1  0.222214  0.444477  0.124968  1
  Mg  Mg221  1  0.222204  0.444425  0.625013  1
  Mg  Mg222  1  0.055515  0.611024  0.124954  1
  Mg  Mg223  1  0.055534  0.611115  0.625000  1
  Mg  Mg224  1  0.888893  0.777704  0.124955  1
  Mg  Mg225  1  0.888839  0.777734  0.624915  1
  Mg  Mg226  1  0.722196  0.944438  0.124956  1
  Mg  Mg227  1  0.722174  0.944386  0.624925  1
  Mg  Mg228  1  0.754616  0.111507  0.125431  1
  Mg  Mg229  1  0.755591  0.111062  0.625024  1
  Mg  Mg230  1  0.588818  0.277824  0.124951  1
  Mg  Mg231  1  0.588894  0.277740  0.625009  1
  Mg  Mg232  1  0.422212  0.444424  0.124968  1
  Mg  Mg233  1  0.422212  0.444417  0.625011  1
  Mg  Mg234  1  0.255614  0.611044  0.124947  1
  Mg  Mg235  1  0.255538  0.611104  0.625006  1
  Mg  Mg236  1  0.089216  0.776895  0.125435  1
  Mg  Mg237  1  0.088859  0.777805  0.625015  1
  Mg  Mg238  1  0.921520  0.943907  0.126316  1
  Mg  Mg239  1  0.922148  0.944379  0.624852  1
