# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.43952133
_cell_length_b   15.89380024
_cell_length_c   45.74492365
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.02783641
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg162
_cell_volume   8236.84486594
_cell_formula_units_Z   162
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  0.409478  0.801405  0.277753  1
  Mg  Mg2  1  0.742812  0.468072  0.277753  1
  Mg  Mg3  1  0.675237  0.797142  0.291945  1
  Mg  Mg4  1  0.076145  0.134738  0.277753  1
  Mg  Mg5  1  0.008571  0.463809  0.291945  1
  Mg  Mg6  1  0.946249  0.787276  0.307159  1
  Mg  Mg7  1  0.341904  0.130475  0.291945  1
  Mg  Mg8  1  0.279582  0.453943  0.307159  1
  Mg  Mg9  1  0.612916  0.120609  0.307159  1
  Mg  Mg10  1  0.406004  0.621414  0.304008  1
  Mg  Mg11  1  0.739337  0.288081  0.304008  1
  Mg  Mg12  1  0.675506  0.617464  0.320491  1
  Mg  Mg13  1  0.072670  0.954748  0.304008  1
  Mg  Mg14  1  0.008839  0.284131  0.320491  1
  Mg  Mg15  1  0.133130  0.629936  0.289241  1
  Mg  Mg16  1  0.342173  0.950798  0.320491  1
  Mg  Mg17  1  0.466463  0.296603  0.289241  1
  Mg  Mg18  1  0.799797  0.963269  0.289241  1
  Mg  Mg19  1  0.218132  0.780545  0.324363  1
  Mg  Mg20  1  0.551465  0.447212  0.324363  1
  Mg  Mg21  1  0.488480  0.773691  0.341840  1
  Mg  Mg22  1  0.884799  0.113878  0.324363  1
  Mg  Mg23  1  0.821813  0.440358  0.341840  1
  Mg  Mg24  1  0.759101  0.767788  0.357792  1
  Mg  Mg25  1  0.155147  0.107025  0.341840  1
  Mg  Mg26  1  0.092434  0.434454  0.357792  1
  Mg  Mg27  1  0.425767  0.101121  0.357792  1
  Mg  Mg28  1  0.216399  0.601064  0.354380  1
  Mg  Mg29  1  0.549733  0.267731  0.354380  1
  Mg  Mg30  1  0.486709  0.594195  0.370991  1
  Mg  Mg31  1  0.883066  0.934397  0.354380  1
  Mg  Mg32  1  0.820042  0.260861  0.370991  1
  Mg  Mg33  1  0.943715  0.609084  0.337578  1
  Mg  Mg34  1  0.153375  0.927528  0.370991  1
  Mg  Mg35  1  0.277049  0.275750  0.337578  1
  Mg  Mg36  1  0.610382  0.942417  0.337578  1
  Mg  Mg37  1  0.030004  0.759493  0.374074  1
  Mg  Mg38  1  0.363337  0.426160  0.374074  1
  Mg  Mg39  1  0.300212  0.752480  0.391174  1
  Mg  Mg40  1  0.696671  0.092826  0.374074  1
  Mg  Mg41  1  0.633545  0.419147  0.391174  1
  Mg  Mg42  1  0.570984  0.745831  0.407989  1
  Mg  Mg43  1  0.966878  0.085813  0.391174  1
  Mg  Mg44  1  0.904317  0.412498  0.407989  1
  Mg  Mg45  1  0.237650  0.079164  0.407989  1
  Mg  Mg46  1  0.027068  0.580640  0.404532  1
  Mg  Mg47  1  0.360402  0.247306  0.404532  1
  Mg  Mg48  1  0.298109  0.573075  0.421233  1
  Mg  Mg49  1  0.693735  0.913973  0.404532  1
  Mg  Mg50  1  0.631442  0.239742  0.421233  1
  Mg  Mg51  1  0.756236  0.587942  0.387839  1
  Mg  Mg52  1  0.964775  0.906408  0.421233  1
  Mg  Mg53  1  0.089569  0.254609  0.387839  1
  Mg  Mg54  1  0.422902  0.921276  0.387839  1
  Mg  Mg55  1  0.841764  0.738801  0.424454  1
  Mg  Mg56  1  0.175097  0.405468  0.424454  1
  Mg  Mg57  1  0.112281  0.731502  0.441159  1
  Mg  Mg58  1  0.508431  0.072134  0.424454  1
  Mg  Mg59  1  0.445614  0.398169  0.441159  1
  Mg  Mg60  1  0.382807  0.724470  0.457970  1
  Mg  Mg61  1  0.778947  0.064836  0.441159  1
  Mg  Mg62  1  0.716141  0.391137  0.457970  1
  Mg  Mg63  1  0.049474  0.057804  0.457970  1
  Mg  Mg64  1  0.838977  0.559339  0.454764  1
  Mg  Mg65  1  0.172310  0.226006  0.454764  1
  Mg  Mg66  1  0.109713  0.552169  0.471433  1
  Mg  Mg67  1  0.505644  0.892672  0.454764  1
  Mg  Mg68  1  0.443047  0.218836  0.471433  1
  Mg  Mg69  1  0.568471  0.566223  0.438042  1
  Mg  Mg70  1  0.776380  0.885502  0.471433  1
  Mg  Mg71  1  0.901804  0.232889  0.438042  1
  Mg  Mg72  1  0.235138  0.899556  0.438042  1
  Mg  Mg73  1  0.653520  0.717494  0.474666  1
  Mg  Mg74  1  0.986853  0.384161  0.474666  1
  Mg  Mg75  1  0.924160  0.710436  0.491323  1
  Mg  Mg76  1  0.320186  0.050827  0.474666  1
  Mg  Mg77  1  0.257493  0.377103  0.491323  1
  Mg  Mg78  1  0.194707  0.703391  0.508077  1
  Mg  Mg79  1  0.590827  0.043769  0.491323  1
  Mg  Mg80  1  0.528041  0.370057  0.508077  1
  Mg  Mg81  1  0.861374  0.036724  0.508077  1
  Mg  Mg82  1  0.650881  0.538005  0.504936  1
  Mg  Mg83  1  0.984215  0.204672  0.504936  1
  Mg  Mg84  1  0.921522  0.530947  0.521593  1
  Mg  Mg85  1  0.317548  0.871338  0.504936  1
  Mg  Mg86  1  0.254855  0.197614  0.521593  1
  Mg  Mg87  1  0.380334  0.545050  0.488181  1
  Mg  Mg88  1  0.588188  0.864281  0.521593  1
  Mg  Mg89  1  0.713667  0.211717  0.488181  1
  Mg  Mg90  1  0.047001  0.878384  0.488181  1
  Mg  Mg91  1  0.465328  0.696272  0.524825  1
  Mg  Mg92  1  0.798661  0.362939  0.524825  1
  Mg  Mg93  1  0.736064  0.689102  0.541494  1
  Mg  Mg94  1  0.131995  0.029605  0.524825  1
  Mg  Mg95  1  0.069398  0.355769  0.541494  1
  Mg  Mg96  1  0.006570  0.682219  0.558216  1
  Mg  Mg97  1  0.402731  0.022435  0.541494  1
  Mg  Mg98  1  0.339904  0.348885  0.558216  1
  Mg  Mg99  1  0.673237  0.015552  0.558216  1
  Mg  Mg100  1  0.462761  0.516939  0.555100  1
  Mg  Mg101  1  0.796094  0.183605  0.555100  1
  Mg  Mg102  1  0.733277  0.509640  0.571805  1
  Mg  Mg103  1  0.129427  0.850272  0.555100  1
  Mg  Mg104  1  0.066611  0.176307  0.571805  1
  Mg  Mg105  1  0.192234  0.523971  0.538288  1
  Mg  Mg106  1  0.399944  0.842973  0.571805  1
  Mg  Mg107  1  0.525567  0.190637  0.538288  1
  Mg  Mg108  1  0.858901  0.857304  0.538288  1
  Mg  Mg109  1  0.276933  0.675366  0.575025  1
  Mg  Mg110  1  0.610266  0.342033  0.575025  1
  Mg  Mg111  1  0.547973  0.667801  0.591726  1
  Mg  Mg112  1  0.943599  0.008699  0.575025  1
  Mg  Mg113  1  0.881306  0.334468  0.591726  1
  Mg  Mg114  1  0.818806  0.660499  0.608419  1
  Mg  Mg115  1  0.214640  1.001135  0.591726  1
  Mg  Mg116  1  0.152139  0.327165  0.608419  1
  Mg  Mg117  1  0.485472  0.993832  0.608419  1
  Mg  Mg118  1  0.274830  0.495961  0.605084  1
  Mg  Mg119  1  0.608163  0.162628  0.605084  1
  Mg  Mg120  1  0.545037  0.488948  0.622185  1
  Mg  Mg121  1  0.941496  0.829294  0.605084  1
  Mg  Mg122  1  0.878371  0.155615  0.622185  1
  Mg  Mg123  1  0.004058  0.502610  0.588270  1
  Mg  Mg124  1  0.211704  0.822281  0.622185  1
  Mg  Mg125  1  0.337391  0.169277  0.588270  1
  Mg  Mg126  1  0.670724  0.835943  0.588270  1
  Mg  Mg127  1  0.088333  0.654246  0.625267  1
  Mg  Mg128  1  0.421666  0.320913  0.625267  1
  Mg  Mg129  1  0.358642  0.647377  0.641878  1
  Mg  Mg130  1  0.754999  0.987580  0.625267  1
  Mg  Mg131  1  0.691975  0.314044  0.641878  1
  Mg  Mg132  1  0.631326  0.639357  0.658680  1
  Mg  Mg133  1  0.025309  0.980710  0.641878  1
  Mg  Mg134  1  0.964659  0.306024  0.658680  1
  Mg  Mg135  1  0.297993  0.972691  0.658680  1
  Mg  Mg136  1  0.086561  0.474750  0.654418  1
  Mg  Mg137  1  0.419895  0.141416  0.654418  1
  Mg  Mg138  1  0.356909  0.467896  0.671895  1
  Mg  Mg139  1  0.753228  0.808083  0.654418  1
  Mg  Mg140  1  0.690243  0.134563  0.671895  1
  Mg  Mg141  1  0.815941  0.480653  0.638466  1
  Mg  Mg142  1  0.023576  0.801229  0.671895  1
  Mg  Mg143  1  0.149274  0.147320  0.638466  1
  Mg  Mg144  1  0.482607  0.813987  0.638466  1
  Mg  Mg145  1  0.899535  0.630977  0.675768  1
  Mg  Mg146  1  0.232869  0.297643  0.675768  1
  Mg  Mg147  1  0.169038  0.627027  0.692250  1
  Mg  Mg148  1  0.566202  0.964310  0.675768  1
  Mg  Mg149  1  0.502371  0.293693  0.692250  1
  Mg  Mg150  1  0.441911  0.618505  0.707018  1
  Mg  Mg151  1  0.835704  0.960360  0.692250  1
  Mg  Mg152  1  0.775245  0.285172  0.707018  1
  Mg  Mg153  1  0.108578  0.951839  0.707018  1
  Mg  Mg154  1  0.899804  0.451299  0.704313  1
  Mg  Mg155  1  0.233137  0.117966  0.704313  1
  Mg  Mg156  1  0.165563  0.447036  0.718505  1
  Mg  Mg157  1  0.566471  0.784633  0.704313  1
  Mg  Mg158  1  0.498896  0.113703  0.718505  1
  Mg  Mg159  1  0.628792  0.461165  0.689099  1
  Mg  Mg160  1  0.832230  0.780369  0.718505  1
  Mg  Mg161  1  0.962126  0.127832  0.689099  1
  Mg  Mg162  1  0.295459  0.794498  0.689099  1
