# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.48237361
_cell_length_b   22.80621838
_cell_length_c   46.36232095
_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   17427.6248182
_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  0.006973  0.734877  0.287358  1
  Mg  Mg2  1  0.170578  0.704633  0.316845  1
  Mg  Mg3  1  0.003911  0.204633  0.316845  1
  Mg  Mg4  1  0.340306  0.734877  0.287358  1
  Mg  Mg5  1  0.503911  0.704633  0.316845  1
  Mg  Mg6  1  0.173640  0.234877  0.287358  1
  Mg  Mg7  1  0.337244  0.204633  0.316845  1
  Mg  Mg8  1  0.673640  0.734877  0.287358  1
  Mg  Mg9  1  0.837244  0.704633  0.316845  1
  Mg  Mg10  1  0.506973  0.234877  0.287358  1
  Mg  Mg11  1  0.670578  0.204633  0.316845  1
  Mg  Mg12  1  0.840306  0.234877  0.287358  1
  Mg  Mg13  1  0.053530  0.336785  0.308060  1
  Mg  Mg14  1  0.222665  0.310003  0.340078  1
  Mg  Mg15  1  0.055998  0.810003  0.340078  1
  Mg  Mg16  1  0.386863  0.336785  0.308060  1
  Mg  Mg17  1  0.555998  0.310003  0.340078  1
  Mg  Mg18  1  0.220197  0.836785  0.308060  1
  Mg  Mg19  1  0.389332  0.810003  0.340078  1
  Mg  Mg20  1  0.720197  0.336785  0.308060  1
  Mg  Mg21  1  0.889332  0.310003  0.340078  1
  Mg  Mg22  1  0.553530  0.836785  0.308060  1
  Mg  Mg23  1  0.722665  0.810003  0.340078  1
  Mg  Mg24  1  0.886863  0.836785  0.308060  1
  Mg  Mg25  1  0.999648  0.469991  0.301351  1
  Mg  Mg26  1  0.168858  0.440634  0.331165  1
  Mg  Mg27  1  1.002191  0.940634  0.331165  1
  Mg  Mg28  1  0.332982  0.469991  0.301351  1
  Mg  Mg29  1  0.502191  0.440634  0.331165  1
  Mg  Mg30  1  0.166315  0.969991  0.301351  1
  Mg  Mg31  1  0.335524  0.940634  0.331165  1
  Mg  Mg32  1  0.666315  0.469991  0.301351  1
  Mg  Mg33  1  0.835524  0.440634  0.331165  1
  Mg  Mg34  1  0.499648  0.969991  0.301351  1
  Mg  Mg35  1  0.668858  0.940634  0.331165  1
  Mg  Mg36  1  0.832982  0.969991  0.301351  1
  Mg  Mg37  1  0.115832  0.573200  0.323681  1
  Mg  Mg38  1  0.281769  0.602735  0.293743  1
  Mg  Mg39  1  0.115103  0.102735  0.293743  1
  Mg  Mg40  1  0.449166  0.573200  0.323681  1
  Mg  Mg41  1  0.615103  0.602735  0.293743  1
  Mg  Mg42  1  0.282499  0.073200  0.323681  1
  Mg  Mg43  1  0.448436  0.102735  0.293743  1
  Mg  Mg44  1  0.782499  0.573200  0.323681  1
  Mg  Mg45  1  0.948436  0.602735  0.293743  1
  Mg  Mg46  1  0.615832  0.073200  0.323681  1
  Mg  Mg47  1  0.781769  0.102735  0.293743  1
  Mg  Mg48  1  0.949166  0.073200  0.323681  1
  Mg  Mg49  1  0.003066  0.676631  0.348204  1
  Mg  Mg50  1  0.169524  0.647701  0.378519  1
  Mg  Mg51  1  1.002858  0.147701  0.378519  1
  Mg  Mg52  1  0.336400  0.676631  0.348204  1
  Mg  Mg53  1  0.502858  0.647701  0.378519  1
  Mg  Mg54  1  0.169733  0.176631  0.348204  1
  Mg  Mg55  1  0.336191  0.147701  0.378519  1
  Mg  Mg56  1  0.669733  0.676631  0.348204  1
  Mg  Mg57  1  0.836191  0.647701  0.378519  1
  Mg  Mg58  1  0.503066  0.176631  0.348204  1
  Mg  Mg59  1  0.669524  0.147701  0.378519  1
  Mg  Mg60  1  0.836400  0.176631  0.348204  1
  Mg  Mg61  1  0.056705  0.280245  0.370494  1
  Mg  Mg62  1  0.224092  0.251068  0.402042  1
  Mg  Mg63  1  0.057425  0.751068  0.402042  1
  Mg  Mg64  1  0.390038  0.280245  0.370494  1
  Mg  Mg65  1  0.557425  0.251068  0.402042  1
  Mg  Mg66  1  0.223372  0.780245  0.370494  1
  Mg  Mg67  1  0.390759  0.751068  0.402042  1
  Mg  Mg68  1  0.723372  0.280245  0.370494  1
  Mg  Mg69  1  0.890759  0.251068  0.402042  1
  Mg  Mg70  1  0.556705  0.780245  0.370494  1
  Mg  Mg71  1  0.724092  0.751068  0.402042  1
  Mg  Mg72  1  0.890038  0.780245  0.370494  1
  Mg  Mg73  1  0.003414  0.412711  0.363348  1
  Mg  Mg74  1  0.169581  0.383516  0.394193  1
  Mg  Mg75  1  1.002914  0.883516  0.394193  1
  Mg  Mg76  1  0.336747  0.412711  0.363348  1
  Mg  Mg77  1  0.502914  0.383516  0.394193  1
  Mg  Mg78  1  0.170080  0.912711  0.363348  1
  Mg  Mg79  1  0.336248  0.883516  0.394193  1
  Mg  Mg80  1  0.670080  0.412711  0.363348  1
  Mg  Mg81  1  0.836248  0.383516  0.394193  1
  Mg  Mg82  1  0.503414  0.912711  0.363348  1
  Mg  Mg83  1  0.669581  0.883516  0.394193  1
  Mg  Mg84  1  0.836747  0.912711  0.363348  1
  Mg  Mg85  1  0.115538  0.515525  0.386122  1
  Mg  Mg86  1  0.282341  0.544758  0.355635  1
  Mg  Mg87  1  0.115675  0.044758  0.355635  1
  Mg  Mg88  1  0.448871  0.515525  0.386122  1
  Mg  Mg89  1  0.615675  0.544758  0.355635  1
  Mg  Mg90  1  0.282205  0.015525  0.386122  1
  Mg  Mg91  1  0.449008  0.044758  0.355635  1
  Mg  Mg92  1  0.782205  0.515525  0.386122  1
  Mg  Mg93  1  0.949008  0.544758  0.355635  1
  Mg  Mg94  1  0.615538  0.015525  0.386122  1
  Mg  Mg95  1  0.782341  0.044758  0.355635  1
  Mg  Mg96  1  0.948871  0.015525  0.386122  1
  Mg  Mg97  1  0.003144  0.618446  0.410128  1
  Mg  Mg98  1  0.169690  0.589397  0.441263  1
  Mg  Mg99  1  0.003023  0.089397  0.441263  1
  Mg  Mg100  1  0.336478  0.618446  0.410128  1
  Mg  Mg101  1  0.503023  0.589397  0.441263  1
  Mg  Mg102  1  0.169811  0.118446  0.410128  1
  Mg  Mg103  1  0.336357  0.089397  0.441263  1
  Mg  Mg104  1  0.669811  0.618446  0.410128  1
  Mg  Mg105  1  0.836357  0.589397  0.441263  1
  Mg  Mg106  1  0.503144  0.118446  0.410128  1
  Mg  Mg107  1  0.669690  0.089397  0.441263  1
  Mg  Mg108  1  0.836478  0.118446  0.410128  1
  Mg  Mg109  1  0.057735  0.221763  0.433272  1
  Mg  Mg110  1  0.224600  0.192672  0.464779  1
  Mg  Mg111  1  0.057933  0.692672  0.464779  1
  Mg  Mg112  1  0.391068  0.221763  0.433272  1
  Mg  Mg113  1  0.557933  0.192672  0.464779  1
  Mg  Mg114  1  0.224402  0.721763  0.433272  1
  Mg  Mg115  1  0.391267  0.692672  0.464779  1
  Mg  Mg116  1  0.724402  0.221763  0.433272  1
  Mg  Mg117  1  0.891267  0.192672  0.464779  1
  Mg  Mg118  1  0.557735  0.721763  0.433272  1
  Mg  Mg119  1  0.724600  0.692672  0.464779  1
  Mg  Mg120  1  0.891068  0.721763  0.433272  1
  Mg  Mg121  1  0.003006  0.354000  0.425608  1
  Mg  Mg122  1  0.169611  0.324942  0.456915  1
  Mg  Mg123  1  1.002945  0.824942  0.456915  1
  Mg  Mg124  1  0.336339  0.354000  0.425608  1
  Mg  Mg125  1  0.502945  0.324942  0.456915  1
  Mg  Mg126  1  0.169673  0.854000  0.425608  1
  Mg  Mg127  1  0.336278  0.824942  0.456915  1
  Mg  Mg128  1  0.669673  0.354000  0.425608  1
  Mg  Mg129  1  0.836278  0.324942  0.456915  1
  Mg  Mg130  1  0.503006  0.854000  0.425608  1
  Mg  Mg131  1  0.669611  0.824942  0.456915  1
  Mg  Mg132  1  0.836339  0.854000  0.425608  1
  Mg  Mg133  1  0.114787  0.457270  0.449074  1
  Mg  Mg134  1  0.281667  0.486300  0.417808  1
  Mg  Mg135  1  0.115000  0.986300  0.417808  1
  Mg  Mg136  1  0.448120  0.457270  0.449074  1
  Mg  Mg137  1  0.615000  0.486300  0.417808  1
  Mg  Mg138  1  0.281454  0.957270  0.449074  1
  Mg  Mg139  1  0.448334  0.986300  0.417808  1
  Mg  Mg140  1  0.781454  0.457270  0.449074  1
  Mg  Mg141  1  0.948334  0.486300  0.417808  1
  Mg  Mg142  1  0.614787  0.957270  0.449074  1
  Mg  Mg143  1  0.781667  0.986300  0.417808  1
  Mg  Mg144  1  0.948120  0.957270  0.449074  1
  Mg  Mg145  1  0.003022  0.560241  0.472733  1
  Mg  Mg146  1  0.169688  0.531111  0.504073  1
  Mg  Mg147  1  0.003021  0.031111  0.504073  1
  Mg  Mg148  1  0.336355  0.560241  0.472733  1
  Mg  Mg149  1  0.503021  0.531111  0.504073  1
  Mg  Mg150  1  0.169688  0.060241  0.472733  1
  Mg  Mg151  1  0.336354  0.031111  0.504073  1
  Mg  Mg152  1  0.669688  0.560241  0.472733  1
  Mg  Mg153  1  0.836354  0.531111  0.504073  1
  Mg  Mg154  1  0.503022  0.060241  0.472733  1
  Mg  Mg155  1  0.669688  0.031111  0.504073  1
  Mg  Mg156  1  0.836355  0.060241  0.472733  1
  Mg  Mg157  1  0.057967  0.163449  0.496134  1
  Mg  Mg158  1  0.224618  0.134320  0.527478  1
  Mg  Mg159  1  0.057951  0.634320  0.527478  1
  Mg  Mg160  1  0.391300  0.163449  0.496134  1
  Mg  Mg161  1  0.557951  0.134320  0.527478  1
  Mg  Mg162  1  0.224633  0.663449  0.496134  1
  Mg  Mg163  1  0.391284  0.634320  0.527478  1
  Mg  Mg164  1  0.724633  0.163449  0.496134  1
  Mg  Mg165  1  0.891284  0.134320  0.527478  1
  Mg  Mg166  1  0.557967  0.663449  0.496134  1
  Mg  Mg167  1  0.724618  0.634320  0.527478  1
  Mg  Mg168  1  0.891300  0.663449  0.496134  1
  Mg  Mg169  1  0.003040  0.295677  0.488334  1
  Mg  Mg170  1  0.169693  0.266599  0.519691  1
  Mg  Mg171  1  0.003026  0.766599  0.519691  1
  Mg  Mg172  1  0.336374  0.295677  0.488334  1
  Mg  Mg173  1  0.503026  0.266599  0.519691  1
  Mg  Mg174  1  0.169707  0.795677  0.488334  1
  Mg  Mg175  1  0.336359  0.766599  0.519691  1
  Mg  Mg176  1  0.669707  0.295677  0.488334  1
  Mg  Mg177  1  0.836359  0.266599  0.519691  1
  Mg  Mg178  1  0.503040  0.795677  0.488334  1
  Mg  Mg179  1  0.669693  0.766599  0.519691  1
  Mg  Mg180  1  0.836374  0.795677  0.488334  1
  Mg  Mg181  1  0.114749  0.398868  0.511869  1
  Mg  Mg182  1  0.281385  0.427954  0.480513  1
  Mg  Mg183  1  0.114718  0.927954  0.480513  1
  Mg  Mg184  1  0.448082  0.398868  0.511869  1
  Mg  Mg185  1  0.614718  0.427954  0.480513  1
  Mg  Mg186  1  0.281416  0.898868  0.511869  1
  Mg  Mg187  1  0.448052  0.927954  0.480513  1
  Mg  Mg188  1  0.781416  0.398868  0.511869  1
  Mg  Mg189  1  0.948052  0.427954  0.480513  1
  Mg  Mg190  1  0.614749  0.898868  0.511869  1
  Mg  Mg191  1  0.781385  0.927954  0.480513  1
  Mg  Mg192  1  0.948082  0.898868  0.511869  1
  Mg  Mg193  1  1.002965  0.501926  0.535432  1
  Mg  Mg194  1  0.169720  0.472701  0.566877  1
  Mg  Mg195  1  0.003054  0.972701  0.566877  1
  Mg  Mg196  1  0.336298  0.501926  0.535432  1
  Mg  Mg197  1  0.503054  0.472701  0.566877  1
  Mg  Mg198  1  0.169632  0.001926  0.535432  1
  Mg  Mg199  1  0.336387  0.972701  0.566877  1
  Mg  Mg200  1  0.669632  0.501926  0.535432  1
  Mg  Mg201  1  0.836387  0.472701  0.566877  1
  Mg  Mg202  1  0.502965  0.001926  0.535432  1
  Mg  Mg203  1  0.669720  0.972701  0.566877  1
  Mg  Mg204  1  0.836298  0.001926  0.535432  1
  Mg  Mg205  1  0.057739  0.105167  0.558971  1
  Mg  Mg206  1  0.224217  0.076063  0.590107  1
  Mg  Mg207  1  0.057551  0.576063  0.590107  1
  Mg  Mg208  1  0.391073  0.105167  0.558971  1
  Mg  Mg209  1  0.557551  0.076063  0.590107  1
  Mg  Mg210  1  0.224406  0.605167  0.558971  1
  Mg  Mg211  1  0.390884  0.576063  0.590107  1
  Mg  Mg212  1  0.724406  0.105167  0.558971  1
  Mg  Mg213  1  0.890884  0.076063  0.590107  1
  Mg  Mg214  1  0.557739  0.605167  0.558971  1
  Mg  Mg215  1  0.724217  0.576063  0.590107  1
  Mg  Mg216  1  0.891073  0.605167  0.558971  1
  Mg  Mg217  1  0.003101  0.237347  0.551137  1
  Mg  Mg218  1  0.169722  0.208167  0.582359  1
  Mg  Mg219  1  0.003055  0.708167  0.582359  1
  Mg  Mg220  1  0.336434  0.237347  0.551137  1
  Mg  Mg221  1  0.503055  0.208167  0.582359  1
  Mg  Mg222  1  0.169767  0.737347  0.551137  1
  Mg  Mg223  1  0.336389  0.708167  0.582359  1
  Mg  Mg224  1  0.669767  0.237347  0.551137  1
  Mg  Mg225  1  0.836389  0.208167  0.582359  1
  Mg  Mg226  1  0.503101  0.737347  0.551137  1
  Mg  Mg227  1  0.669722  0.708167  0.582359  1
  Mg  Mg228  1  0.836434  0.737347  0.551137  1
  Mg  Mg229  1  0.115200  0.340586  0.574664  1
  Mg  Mg230  1  0.281540  0.369561  0.543269  1
  Mg  Mg231  1  0.114873  0.869561  0.543269  1
  Mg  Mg232  1  0.448533  0.340586  0.574664  1
  Mg  Mg233  1  0.614873  0.369561  0.543269  1
  Mg  Mg234  1  0.281866  0.840586  0.574664  1
  Mg  Mg235  1  0.448206  0.869561  0.543269  1
  Mg  Mg236  1  0.781866  0.340586  0.574664  1
  Mg  Mg237  1  0.948206  0.369561  0.543269  1
  Mg  Mg238  1  0.615200  0.840586  0.574664  1
  Mg  Mg239  1  0.781540  0.869561  0.543269  1
  Mg  Mg240  1  0.948533  0.840586  0.574664  1
  Mg  Mg241  1  0.003020  0.443416  0.598109  1
  Mg  Mg242  1  0.170304  0.414397  0.629759  1
  Mg  Mg243  1  0.003637  0.914397  0.629759  1
  Mg  Mg244  1  0.336354  0.443416  0.598109  1
  Mg  Mg245  1  0.503637  0.414397  0.629759  1
  Mg  Mg246  1  0.169687  0.943416  0.598109  1
  Mg  Mg247  1  0.336970  0.914397  0.629759  1
  Mg  Mg248  1  0.669687  0.443416  0.598109  1
  Mg  Mg249  1  0.836970  0.414397  0.629759  1
  Mg  Mg250  1  0.503020  0.943416  0.598109  1
  Mg  Mg251  1  0.670304  0.914397  0.629759  1
  Mg  Mg252  1  0.836354  0.943416  0.598109  1
  Mg  Mg253  1  0.056858  0.046840  0.621662  1
  Mg  Mg254  1  0.222664  0.017516  0.651890  1
  Mg  Mg255  1  0.055997  0.517516  0.651890  1
  Mg  Mg256  1  0.390191  0.046840  0.621662  1
  Mg  Mg257  1  0.555997  0.017516  0.651890  1
  Mg  Mg258  1  0.223524  0.546840  0.621662  1
  Mg  Mg259  1  0.389330  0.517516  0.651890  1
  Mg  Mg260  1  0.723524  0.046840  0.621662  1
  Mg  Mg261  1  0.889330  0.017516  0.651890  1
  Mg  Mg262  1  0.556858  0.546840  0.621662  1
  Mg  Mg263  1  0.722664  0.517516  0.651890  1
  Mg  Mg264  1  0.890191  0.546840  0.621662  1
  Mg  Mg265  1  1.002823  0.179149  0.614070  1
  Mg  Mg266  1  0.169216  0.149723  0.644652  1
  Mg  Mg267  1  1.002549  0.649723  0.644652  1
  Mg  Mg268  1  0.336156  0.179149  0.614070  1
  Mg  Mg269  1  0.502549  0.149723  0.644652  1
  Mg  Mg270  1  0.169489  0.679149  0.614070  1
  Mg  Mg271  1  0.335882  0.649723  0.644652  1
  Mg  Mg272  1  0.669489  0.179149  0.614070  1
  Mg  Mg273  1  0.835882  0.149723  0.644652  1
  Mg  Mg274  1  0.502823  0.679149  0.614070  1
  Mg  Mg275  1  0.669216  0.649723  0.644652  1
  Mg  Mg276  1  0.836156  0.679149  0.614070  1
  Mg  Mg277  1  0.116709  0.282027  0.636933  1
  Mg  Mg278  1  0.282228  0.311076  0.606031  1
  Mg  Mg279  1  0.115561  0.811076  0.606031  1
  Mg  Mg280  1  0.450042  0.282027  0.636933  1
  Mg  Mg281  1  0.615561  0.311076  0.606031  1
  Mg  Mg282  1  0.283376  0.782027  0.636933  1
  Mg  Mg283  1  0.448895  0.811076  0.606031  1
  Mg  Mg284  1  0.783376  0.282027  0.636933  1
  Mg  Mg285  1  0.948895  0.311076  0.606031  1
  Mg  Mg286  1  0.616709  0.782027  0.636933  1
  Mg  Mg287  1  0.782228  0.811076  0.606031  1
  Mg  Mg288  1  0.950042  0.782027  0.636933  1
  Mg  Mg289  1  0.003791  0.384487  0.660307  1
  Mg  Mg290  1  0.171457  0.357054  0.691992  1
  Mg  Mg291  1  0.004791  0.857054  0.691992  1
  Mg  Mg292  1  0.337124  0.384487  0.660307  1
  Mg  Mg293  1  0.504791  0.357054  0.691992  1
  Mg  Mg294  1  0.170457  0.884487  0.660307  1
  Mg  Mg295  1  0.338124  0.857054  0.691992  1
  Mg  Mg296  1  0.670457  0.384487  0.660307  1
  Mg  Mg297  1  0.838124  0.357054  0.691992  1
  Mg  Mg298  1  0.503791  0.884487  0.660307  1
  Mg  Mg299  1  0.671457  0.857054  0.691992  1
  Mg  Mg300  1  0.837124  0.884487  0.660307  1
  Mg  Mg301  1  0.055403  0.990190  0.683659  1
  Mg  Mg302  1  0.222543  0.959138  0.712810  1
  Mg  Mg303  1  0.055876  0.459138  0.712810  1
  Mg  Mg304  1  0.388736  0.990190  0.683659  1
  Mg  Mg305  1  0.555876  0.959138  0.712810  1
  Mg  Mg306  1  0.222069  0.490190  0.683659  1
  Mg  Mg307  1  0.389210  0.459138  0.712810  1
  Mg  Mg308  1  0.722069  0.990190  0.683659  1
  Mg  Mg309  1  0.889210  0.959138  0.712810  1
  Mg  Mg310  1  0.555403  0.490190  0.683659  1
  Mg  Mg311  1  0.722543  0.459138  0.712810  1
  Mg  Mg312  1  0.888736  0.490190  0.683659  1
  Mg  Mg313  1  1.002815  0.120690  0.676331  1
  Mg  Mg314  1  0.172321  0.092334  0.706453  1
  Mg  Mg315  1  0.005654  0.592334  0.706453  1
  Mg  Mg316  1  0.336148  0.120690  0.676331  1
  Mg  Mg317  1  0.505654  0.092334  0.706453  1
  Mg  Mg318  1  0.169481  0.620690  0.676331  1
  Mg  Mg319  1  0.338988  0.592334  0.706453  1
  Mg  Mg320  1  0.669481  0.120690  0.676331  1
  Mg  Mg321  1  0.838988  0.092334  0.706453  1
  Mg  Mg322  1  0.502815  0.620690  0.676331  1
  Mg  Mg323  1  0.672321  0.592334  0.706453  1
  Mg  Mg324  1  0.836148  0.620690  0.676331  1
  Mg  Mg325  1  0.115315  0.224743  0.698949  1
  Mg  Mg326  1  0.283159  0.253041  0.668777  1
  Mg  Mg327  1  0.116492  0.753041  0.668777  1
  Mg  Mg328  1  0.448648  0.224743  0.698949  1
  Mg  Mg329  1  0.616492  0.253041  0.668777  1
  Mg  Mg330  1  0.281981  0.724743  0.698949  1
  Mg  Mg331  1  0.449826  0.753041  0.668777  1
  Mg  Mg332  1  0.781981  0.224743  0.698949  1
  Mg  Mg333  1  0.949826  0.253041  0.668777  1
  Mg  Mg334  1  0.615315  0.724743  0.698949  1
  Mg  Mg335  1  0.783159  0.753041  0.668777  1
  Mg  Mg336  1  0.948648  0.724743  0.698949  1
