# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.96507670
_cell_length_b   31.72365964
_cell_length_c   46.09902807
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.99625853
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg312
_cell_volume   15791.8562568
_cell_formula_units_Z   312
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  0.439066  0.625803  0.286791  1
  Mg  Mg2  1  0.939066  0.625803  0.286791  1
  Mg  Mg3  1  0.528302  0.962739  0.277053  1
  Mg  Mg4  1  0.359959  0.289791  0.297759  1
  Mg  Mg5  1  0.028302  0.962739  0.277053  1
  Mg  Mg6  1  0.859959  0.289791  0.297759  1
  Mg  Mg7  1  0.493619  0.871638  0.303023  1
  Mg  Mg8  1  0.993619  0.871638  0.303023  1
  Mg  Mg9  1  0.577707  0.207174  0.292215  1
  Mg  Mg10  1  0.652801  0.544084  0.283016  1
  Mg  Mg11  1  0.077707  0.207174  0.292215  1
  Mg  Mg12  1  0.152801  0.544084  0.283016  1
  Mg  Mg13  1  0.358412  0.789075  0.297682  1
  Mg  Mg14  1  0.858412  0.789075  0.297682  1
  Mg  Mg15  1  0.443600  0.124254  0.286504  1
  Mg  Mg16  1  0.277816  0.453786  0.308857  1
  Mg  Mg17  1  0.943600  0.124254  0.286504  1
  Mg  Mg18  1  0.777816  0.453786  0.308857  1
  Mg  Mg19  1  0.721359  0.707182  0.292239  1
  Mg  Mg20  1  0.221359  0.707182  0.292239  1
  Mg  Mg21  1  0.806616  0.042800  0.281327  1
  Mg  Mg22  1  0.641511  0.371879  0.303420  1
  Mg  Mg23  1  0.306616  0.042800  0.281327  1
  Mg  Mg24  1  0.141511  0.371879  0.303420  1
  Mg  Mg25  1  0.193801  0.619858  0.321831  1
  Mg  Mg26  1  0.693801  0.619858  0.321831  1
  Mg  Mg27  1  0.279710  0.953858  0.309769  1
  Mg  Mg28  1  0.112508  0.284364  0.332835  1
  Mg  Mg29  1  0.779710  0.953858  0.309769  1
  Mg  Mg30  1  0.612508  0.284364  0.332835  1
  Mg  Mg31  1  0.242605  0.867416  0.337704  1
  Mg  Mg32  1  0.742605  0.867416  0.337704  1
  Mg  Mg33  1  0.328273  0.202055  0.327032  1
  Mg  Mg34  1  0.407830  0.536459  0.315567  1
  Mg  Mg35  1  0.828273  0.202055  0.327032  1
  Mg  Mg36  1  0.907830  0.536459  0.315567  1
  Mg  Mg37  1  0.110829  0.784342  0.332865  1
  Mg  Mg38  1  0.610829  0.784342  0.332865  1
  Mg  Mg39  1  0.195409  0.119963  0.321704  1
  Mg  Mg40  1  0.030444  0.449910  0.343593  1
  Mg  Mg41  1  0.695409  0.119963  0.321704  1
  Mg  Mg42  1  0.530444  0.449910  0.343593  1
  Mg  Mg43  1  0.477706  0.701887  0.327295  1
  Mg  Mg44  1  0.977706  0.701887  0.327295  1
  Mg  Mg45  1  0.563577  0.037645  0.316515  1
  Mg  Mg46  1  0.396844  0.366884  0.338483  1
  Mg  Mg47  1  0.063577  0.037645  0.316515  1
  Mg  Mg48  1  0.896844  0.366884  0.338483  1
  Mg  Mg49  1  0.946068  0.614090  0.355147  1
  Mg  Mg50  1  0.446068  0.614090  0.355147  1
  Mg  Mg51  1  0.029361  0.949749  0.344405  1
  Mg  Mg52  1  0.864724  0.279497  0.366624  1
  Mg  Mg53  1  0.529361  0.949749  0.344405  1
  Mg  Mg54  1  0.364724  0.279497  0.366624  1
  Mg  Mg55  1  0.993103  0.862042  0.371995  1
  Mg  Mg56  1  0.493103  0.862042  0.371995  1
  Mg  Mg57  1  0.077156  0.197118  0.360982  1
  Mg  Mg58  1  0.159378  0.532225  0.350230  1
  Mg  Mg59  1  0.577156  0.197118  0.360982  1
  Mg  Mg60  1  0.659378  0.532225  0.350230  1
  Mg  Mg61  1  0.863171  0.779715  0.366558  1
  Mg  Mg62  1  0.363171  0.779715  0.366558  1
  Mg  Mg63  1  0.947460  0.114704  0.355441  1
  Mg  Mg64  1  0.782130  0.444487  0.377842  1
  Mg  Mg65  1  0.447460  0.114704  0.355441  1
  Mg  Mg66  1  0.282130  0.444487  0.377842  1
  Mg  Mg67  1  0.233751  0.697079  0.361023  1
  Mg  Mg68  1  0.733751  0.697079  0.361023  1
  Mg  Mg69  1  0.317869  0.031933  0.349533  1
  Mg  Mg70  1  0.152081  0.362062  0.372186  1
  Mg  Mg71  1  0.817869  0.031933  0.349533  1
  Mg  Mg72  1  0.652081  0.362062  0.372186  1
  Mg  Mg73  1  0.698911  0.609364  0.389911  1
  Mg  Mg74  1  0.198911  0.609364  0.389911  1
  Mg  Mg75  1  0.782109  0.944386  0.378158  1
  Mg  Mg76  1  0.617241  0.274423  0.401289  1
  Mg  Mg77  1  0.282109  0.944386  0.378158  1
  Mg  Mg78  1  0.117241  0.274423  0.401289  1
  Mg  Mg79  1  0.744462  0.856807  0.406789  1
  Mg  Mg80  1  0.244462  0.856807  0.406789  1
  Mg  Mg81  1  0.828009  0.191928  0.395585  1
  Mg  Mg82  1  0.910201  0.526752  0.383938  1
  Mg  Mg83  1  0.328009  0.191928  0.395585  1
  Mg  Mg84  1  0.410201  0.526752  0.383938  1
  Mg  Mg85  1  0.616021  0.774333  0.401288  1
  Mg  Mg86  1  0.116021  0.774333  0.401288  1
  Mg  Mg87  1  0.700080  0.109315  0.389958  1
  Mg  Mg88  1  0.534546  0.439223  0.412600  1
  Mg  Mg89  1  0.200080  0.109315  0.389958  1
  Mg  Mg90  1  0.034546  0.439223  0.412600  1
  Mg  Mg91  1  0.987827  0.691763  0.395520  1
  Mg  Mg92  1  0.487827  0.691763  0.395520  1
  Mg  Mg93  1  0.071845  0.026819  0.384280  1
  Mg  Mg94  1  0.906267  0.356827  0.406939  1
  Mg  Mg95  1  0.571845  0.026819  0.384280  1
  Mg  Mg96  1  0.406267  0.356827  0.406939  1
  Mg  Mg97  1  0.451481  0.604116  0.424274  1
  Mg  Mg98  1  0.951481  0.604116  0.424274  1
  Mg  Mg99  1  0.534589  0.939127  0.412929  1
  Mg  Mg100  1  0.369822  0.269194  0.435738  1
  Mg  Mg101  1  0.034589  0.939127  0.412929  1
  Mg  Mg102  1  0.869822  0.269194  0.435738  1
  Mg  Mg103  1  0.496400  0.851586  0.441383  1
  Mg  Mg104  1  0.996400  0.851586  0.441383  1
  Mg  Mg105  1  0.579761  0.186695  0.430033  1
  Mg  Mg106  1  0.661843  0.521614  0.418695  1
  Mg  Mg107  1  0.079761  0.186695  0.430033  1
  Mg  Mg108  1  0.161843  0.521614  0.418695  1
  Mg  Mg109  1  0.368814  0.769134  0.435708  1
  Mg  Mg110  1  0.868814  0.769134  0.435708  1
  Mg  Mg111  1  0.452455  0.104185  0.424394  1
  Mg  Mg112  1  0.287032  0.434071  0.447178  1
  Mg  Mg113  1  0.952455  0.104185  0.424394  1
  Mg  Mg114  1  0.787032  0.434071  0.447178  1
  Mg  Mg115  1  0.741430  0.686676  0.430039  1
  Mg  Mg116  1  0.241430  0.686676  0.430039  1
  Mg  Mg117  1  0.825066  0.021630  0.418604  1
  Mg  Mg118  1  0.659755  0.351665  0.441414  1
  Mg  Mg119  1  0.325066  0.021630  0.418604  1
  Mg  Mg120  1  0.159755  0.351665  0.441414  1
  Mg  Mg121  1  0.204108  0.598970  0.458957  1
  Mg  Mg122  1  0.704108  0.598970  0.458957  1
  Mg  Mg123  1  0.287104  0.934006  0.447383  1
  Mg  Mg124  1  0.122419  0.263979  0.470373  1
  Mg  Mg125  1  0.787104  0.934006  0.447383  1
  Mg  Mg126  1  0.622419  0.263979  0.470373  1
  Mg  Mg127  1  0.248773  0.846393  0.476074  1
  Mg  Mg128  1  0.748773  0.846393  0.476074  1
  Mg  Mg129  1  0.331942  0.181481  0.464669  1
  Mg  Mg130  1  0.413908  0.516483  0.453139  1
  Mg  Mg131  1  0.831942  0.181481  0.464669  1
  Mg  Mg132  1  0.913908  0.516483  0.453139  1
  Mg  Mg133  1  0.121508  0.763938  0.470383  1
  Mg  Mg134  1  0.621508  0.763938  0.470383  1
  Mg  Mg135  1  0.205003  0.098957  0.458994  1
  Mg  Mg136  1  0.039591  0.428899  0.481862  1
  Mg  Mg137  1  0.705003  0.098957  0.458994  1
  Mg  Mg138  1  0.539591  0.428899  0.481862  1
  Mg  Mg139  1  0.494454  0.681450  0.464654  1
  Mg  Mg140  1  0.994454  0.681450  0.464654  1
  Mg  Mg141  1  0.577906  0.016466  0.453286  1
  Mg  Mg142  1  0.412777  0.346453  0.476075  1
  Mg  Mg143  1  0.077906  0.016466  0.453286  1
  Mg  Mg144  1  0.912777  0.346453  0.476075  1
  Mg  Mg145  1  0.956661  0.593776  0.493514  1
  Mg  Mg146  1  0.456661  0.593776  0.493514  1
  Mg  Mg147  1  0.039660  0.928801  0.482051  1
  Mg  Mg148  1  0.875032  0.258771  0.504925  1
  Mg  Mg149  1  0.539660  0.928801  0.482051  1
  Mg  Mg150  1  0.375032  0.258771  0.504925  1
  Mg  Mg151  1  1.001322  0.841238  0.510654  1
  Mg  Mg152  1  0.501322  0.841238  0.510654  1
  Mg  Mg153  1  0.084420  0.176272  0.499238  1
  Mg  Mg154  1  0.166289  0.511306  0.487817  1
  Mg  Mg155  1  0.584420  0.176272  0.499238  1
  Mg  Mg156  1  0.666289  0.511306  0.487817  1
  Mg  Mg157  1  0.874164  0.758768  0.504960  1
  Mg  Mg158  1  0.374164  0.758768  0.504960  1
  Mg  Mg159  1  0.957534  0.093775  0.493554  1
  Mg  Mg160  1  0.792184  0.423744  0.516428  1
  Mg  Mg161  1  0.457534  0.093775  0.493554  1
  Mg  Mg162  1  0.292184  0.423744  0.516428  1
  Mg  Mg163  1  0.247219  0.676272  0.499238  1
  Mg  Mg164  1  0.747219  0.676272  0.499238  1
  Mg  Mg165  1  0.330554  0.011268  0.487823  1
  Mg  Mg166  1  0.165543  0.341277  0.510660  1
  Mg  Mg167  1  0.830554  0.011268  0.487823  1
  Mg  Mg168  1  0.665543  0.341277  0.510660  1
  Mg  Mg169  1  0.709175  0.588606  0.528090  1
  Mg  Mg170  1  0.209175  0.588606  0.528090  1
  Mg  Mg171  1  0.792221  0.923645  0.516615  1
  Mg  Mg172  1  0.627688  0.253589  0.539485  1
  Mg  Mg173  1  0.292221  0.923645  0.516615  1
  Mg  Mg174  1  0.127688  0.253589  0.539485  1
  Mg  Mg175  1  0.754116  0.836061  0.545330  1
  Mg  Mg176  1  0.254116  0.836061  0.545330  1
  Mg  Mg177  1  0.837158  0.171063  0.533808  1
  Mg  Mg178  1  0.918896  0.506151  0.522397  1
  Mg  Mg179  1  0.337158  0.171063  0.533808  1
  Mg  Mg180  1  0.418896  0.506151  0.522397  1
  Mg  Mg181  1  0.626805  0.753574  0.539517  1
  Mg  Mg182  1  0.126805  0.753574  0.539517  1
  Mg  Mg183  1  0.710136  0.088566  0.528106  1
  Mg  Mg184  1  0.544834  0.418539  0.551097  1
  Mg  Mg185  1  0.210136  0.088566  0.528106  1
  Mg  Mg186  1  0.044834  0.418539  0.551097  1
  Mg  Mg187  1  0.999632  0.671096  0.533823  1
  Mg  Mg188  1  0.499632  0.671096  0.533823  1
  Mg  Mg189  1  0.082966  0.006092  0.522407  1
  Mg  Mg190  1  0.918094  0.336081  0.545197  1
  Mg  Mg191  1  0.582966  0.006092  0.522407  1
  Mg  Mg192  1  0.418094  0.336081  0.545197  1
  Mg  Mg193  1  0.461679  0.583411  0.562765  1
  Mg  Mg194  1  0.961679  0.583411  0.562765  1
  Mg  Mg195  1  0.544835  0.918473  0.551299  1
  Mg  Mg196  1  0.380373  0.248360  0.574084  1
  Mg  Mg197  1  0.044835  0.918473  0.551299  1
  Mg  Mg198  1  0.880373  0.248360  0.574084  1
  Mg  Mg199  1  0.507179  0.830930  0.579774  1
  Mg  Mg200  1  0.007179  0.830930  0.579774  1
  Mg  Mg201  1  0.590199  0.165849  0.568444  1
  Mg  Mg202  1  0.671716  0.500958  0.557089  1
  Mg  Mg203  1  0.090199  0.165849  0.568444  1
  Mg  Mg204  1  0.171716  0.500958  0.557089  1
  Mg  Mg205  1  0.379321  0.748430  0.574201  1
  Mg  Mg206  1  0.879321  0.748430  0.574201  1
  Mg  Mg207  1  0.462761  0.083350  0.562741  1
  Mg  Mg208  1  0.297438  0.413419  0.585554  1
  Mg  Mg209  1  0.962761  0.083350  0.562741  1
  Mg  Mg210  1  0.797438  0.413419  0.585554  1
  Mg  Mg211  1  0.751838  0.665868  0.568438  1
  Mg  Mg212  1  0.251838  0.665868  0.568438  1
  Mg  Mg213  1  0.835161  1.000880  0.557068  1
  Mg  Mg214  1  0.670419  0.330916  0.579880  1
  Mg  Mg215  1  0.335161  1.000880  0.557068  1
  Mg  Mg216  1  0.170419  0.330916  0.579880  1
  Mg  Mg217  1  0.214089  0.578211  0.597186  1
  Mg  Mg218  1  0.714089  0.578211  0.597186  1
  Mg  Mg219  1  0.297501  0.913321  0.585877  1
  Mg  Mg220  1  0.133135  0.243231  0.608521  1
  Mg  Mg221  1  0.797501  0.913321  0.585877  1
  Mg  Mg222  1  0.633135  0.243231  0.608521  1
  Mg  Mg223  1  0.260662  0.825796  0.614530  1
  Mg  Mg224  1  0.760662  0.825796  0.614530  1
  Mg  Mg225  1  0.343689  0.160615  0.602892  1
  Mg  Mg226  1  0.425001  0.495737  0.591683  1
  Mg  Mg227  1  0.843689  0.160615  0.602892  1
  Mg  Mg228  1  0.925001  0.495737  0.591683  1
  Mg  Mg229  1  0.132002  0.743179  0.608562  1
  Mg  Mg230  1  0.632002  0.743179  0.608562  1
  Mg  Mg231  1  0.215418  0.078121  0.597190  1
  Mg  Mg232  1  0.050213  0.408157  0.620327  1
  Mg  Mg233  1  0.715418  0.078121  0.597190  1
  Mg  Mg234  1  0.550213  0.408157  0.620327  1
  Mg  Mg235  1  0.503324  0.660783  0.602956  1
  Mg  Mg236  1  0.003324  0.660783  0.602956  1
  Mg  Mg237  1  0.586840  0.995717  0.591542  1
  Mg  Mg238  1  0.422387  0.325725  0.614202  1
  Mg  Mg239  1  0.086840  0.995717  0.591542  1
  Mg  Mg240  1  0.922387  0.325725  0.614202  1
  Mg  Mg241  1  0.966625  0.572834  0.631913  1
  Mg  Mg242  1  0.466625  0.572834  0.631913  1
  Mg  Mg243  1  0.050347  0.908058  0.620633  1
  Mg  Mg244  1  0.885907  0.237839  0.643035  1
  Mg  Mg245  1  0.550347  0.908058  0.620633  1
  Mg  Mg246  1  0.385907  0.237839  0.643035  1
  Mg  Mg247  1  0.015288  0.820322  0.648235  1
  Mg  Mg248  1  0.515288  0.820322  0.648235  1
  Mg  Mg249  1  0.098037  0.155430  0.637494  1
  Mg  Mg250  1  0.178879  0.490506  0.626479  1
  Mg  Mg251  1  0.598037  0.155430  0.637494  1
  Mg  Mg252  1  0.678879  0.490506  0.626479  1
  Mg  Mg253  1  0.883879  0.738452  0.643326  1
  Mg  Mg254  1  0.383879  0.738452  0.643326  1
  Mg  Mg255  1  0.967990  0.073043  0.631857  1
  Mg  Mg256  1  0.802823  0.402787  0.654082  1
  Mg  Mg257  1  0.467990  0.073043  0.631857  1
  Mg  Mg258  1  0.302823  0.402787  0.654082  1
  Mg  Mg259  1  0.254569  0.655463  0.637454  1
  Mg  Mg260  1  0.754569  0.655463  0.637454  1
  Mg  Mg261  1  0.337900  0.990478  0.626294  1
  Mg  Mg262  1  0.173515  0.320613  0.648954  1
  Mg  Mg263  1  0.837900  0.990478  0.626294  1
  Mg  Mg264  1  0.673515  0.320613  0.648954  1
  Mg  Mg265  1  0.718916  0.568208  0.665617  1
  Mg  Mg266  1  0.218916  0.568208  0.665617  1
  Mg  Mg267  1  0.804087  0.902638  0.654890  1
  Mg  Mg268  1  0.639145  0.232568  0.676780  1
  Mg  Mg269  1  0.304087  0.902638  0.654890  1
  Mg  Mg270  1  0.139145  0.232568  0.676780  1
  Mg  Mg271  1  0.767947  0.816073  0.682890  1
  Mg  Mg272  1  0.267947  0.816073  0.682890  1
  Mg  Mg273  1  0.854119  0.150481  0.671445  1
  Mg  Mg274  1  0.933750  0.485135  0.660765  1
  Mg  Mg275  1  0.354119  0.150481  0.671445  1
  Mg  Mg276  1  0.433750  0.485135  0.660765  1
  Mg  Mg277  1  0.637366  0.732697  0.676639  1
  Mg  Mg278  1  0.137366  0.732697  0.676639  1
  Mg  Mg279  1  0.720652  0.068178  0.665635  1
  Mg  Mg280  1  0.557222  0.398699  0.688724  1
  Mg  Mg281  1  0.220652  0.068178  0.665635  1
  Mg  Mg282  1  0.057222  0.398699  0.688724  1
  Mg  Mg283  1  0.003343  0.650662  0.671182  1
  Mg  Mg284  1  0.503343  0.650662  0.671182  1
  Mg  Mg285  1  0.087492  0.985653  0.660000  1
  Mg  Mg286  1  0.924962  0.314884  0.681963  1
  Mg  Mg287  1  0.587492  0.985653  0.660000  1
  Mg  Mg288  1  0.424962  0.314884  0.681963  1
  Mg  Mg289  1  0.471236  0.563474  0.700781  1
  Mg  Mg290  1  0.971236  0.563474  0.700781  1
  Mg  Mg291  1  0.555322  0.898752  0.689613  1
  Mg  Mg292  1  0.391645  0.228281  0.711965  1
  Mg  Mg293  1  0.055322  0.898752  0.689613  1
  Mg  Mg294  1  0.891645  0.228281  0.711965  1
  Mg  Mg295  1  0.520498  0.808481  0.715454  1
  Mg  Mg296  1  0.020498  0.808481  0.715454  1
  Mg  Mg297  1  0.608713  0.145326  0.706261  1
  Mg  Mg298  1  0.689014  0.480880  0.695442  1
  Mg  Mg299  1  0.108713  0.145326  0.706261  1
  Mg  Mg300  1  0.189014  0.480880  0.695442  1
  Mg  Mg301  1  0.388619  0.726757  0.711693  1
  Mg  Mg302  1  0.888619  0.726757  0.711693  1
  Mg  Mg303  1  0.473556  0.062748  0.700731  1
  Mg  Mg304  1  0.314735  0.389761  0.721441  1
  Mg  Mg305  1  0.973556  0.062748  0.700731  1
  Mg  Mg306  1  0.814735  0.389761  0.721441  1
  Mg  Mg307  1  0.752299  0.645412  0.706239  1
  Mg  Mg308  1  0.252299  0.645412  0.706239  1
  Mg  Mg309  1  0.837148  0.980704  0.695065  1
  Mg  Mg310  1  0.673132  0.309757  0.717154  1
  Mg  Mg311  1  0.337148  0.980704  0.695065  1
  Mg  Mg312  1  0.173132  0.309757  0.717154  1
