# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50958852
_cell_length_b   15.82475897
_cell_length_c   45.80998191
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.99548279
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg78
_cell_volume   3933.34290677
_cell_formula_units_Z   78
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  0.249039  0.168012  0.286832  1
  Mg  Mg2  1  0.085344  0.494955  0.298278  1
  Mg  Mg3  1  0.917564  0.826087  0.309020  1
  Mg  Mg4  1  0.666964  0.005477  0.281213  1
  Mg  Mg5  1  0.502630  0.331061  0.292630  1
  Mg  Mg6  1  0.334617  0.659322  0.304037  1
  Mg  Mg7  1  0.755898  0.156210  0.320558  1
  Mg  Mg8  1  0.589540  0.485340  0.331999  1
  Mg  Mg9  1  0.423957  0.815379  0.342846  1
  Mg  Mg10  1  0.174082  0.990818  0.314362  1
  Mg  Mg11  1  0.008022  0.320909  0.326376  1
  Mg  Mg12  1  0.841797  0.650119  0.337554  1
  Mg  Mg13  1  0.261835  0.144923  0.354481  1
  Mg  Mg14  1  0.095664  0.475299  0.366176  1
  Mg  Mg15  1  0.930088  0.805020  0.377273  1
  Mg  Mg16  1  0.678971  0.980433  0.348798  1
  Mg  Mg17  1  0.512341  0.310235  0.360464  1
  Mg  Mg18  1  0.346577  0.640219  0.371841  1
  Mg  Mg19  1  0.766975  0.134829  0.388987  1
  Mg  Mg20  1  0.601060  0.464868  0.400547  1
  Mg  Mg21  1  0.435730  0.794747  0.411835  1
  Mg  Mg22  1  0.183405  0.969825  0.383012  1
  Mg  Mg23  1  0.017817  0.299756  0.394793  1
  Mg  Mg24  1  0.851994  0.629847  0.406241  1
  Mg  Mg25  1  0.272005  0.124397  0.423560  1
  Mg  Mg26  1  0.106338  0.454449  0.435165  1
  Mg  Mg27  1  0.941211  0.784315  0.446569  1
  Mg  Mg28  1  0.688349  0.959495  0.417781  1
  Mg  Mg29  1  0.522924  0.289430  0.429420  1
  Mg  Mg30  1  0.357429  0.619426  0.440920  1
  Mg  Mg31  1  0.777120  0.114116  0.458213  1
  Mg  Mg32  1  0.611623  0.444105  0.469761  1
  Mg  Mg33  1  0.446493  0.774025  0.481241  1
  Mg  Mg34  1  0.193306  0.949181  0.452371  1
  Mg  Mg35  1  0.028099  0.279091  0.463997  1
  Mg  Mg36  1  0.862637  0.609082  0.475511  1
  Mg  Mg37  1  0.282231  0.103804  0.492817  1
  Mg  Mg38  1  0.116819  0.433795  0.504367  1
  Mg  Mg39  1  0.951674  0.763702  0.515900  1
  Mg  Mg40  1  0.698398  0.938882  0.487081  1
  Mg  Mg41  1  0.533253  0.268789  0.498614  1
  Mg  Mg42  1  0.367841  0.598780  0.510164  1
  Mg  Mg43  1  0.787435  0.093502  0.527470  1
  Mg  Mg44  1  0.621973  0.423493  0.538984  1
  Mg  Mg45  1  0.456766  0.753403  0.550609  1
  Mg  Mg46  1  0.203579  0.928559  0.521740  1
  Mg  Mg47  1  0.038449  0.258479  0.533219  1
  Mg  Mg48  1  0.872952  0.588468  0.544768  1
  Mg  Mg49  1  0.292643  0.083158  0.562061  1
  Mg  Mg50  1  0.127148  0.413154  0.573561  1
  Mg  Mg51  1  0.961723  0.743089  0.585199  1
  Mg  Mg52  1  0.708861  0.918269  0.556412  1
  Mg  Mg53  1  0.543734  0.248135  0.567816  1
  Mg  Mg54  1  0.378067  0.578187  0.579421  1
  Mg  Mg55  1  0.798078  0.072736  0.596740  1
  Mg  Mg56  1  0.632255  0.402828  0.608187  1
  Mg  Mg57  1  0.466667  0.732759  0.619969  1
  Mg  Mg58  1  0.214342  0.907837  0.591146  1
  Mg  Mg59  1  0.049012  0.237716  0.602434  1
  Mg  Mg60  1  0.883098  0.567755  0.613993  1
  Mg  Mg61  1  0.303495  0.062365  0.631139  1
  Mg  Mg62  1  0.137731  0.392349  0.642517  1
  Mg  Mg63  1  0.971101  0.722151  0.654182  1
  Mg  Mg64  1  0.719985  0.897563  0.625708  1
  Mg  Mg65  1  0.554408  0.227285  0.636805  1
  Mg  Mg66  1  0.388237  0.557661  0.648500  1
  Mg  Mg67  1  0.808276  0.052465  0.665426  1
  Mg  Mg68  1  0.642050  0.381675  0.676604  1
  Mg  Mg69  1  0.475990  0.711766  0.688619  1
  Mg  Mg70  1  0.226115  0.887205  0.660134  1
  Mg  Mg71  1  0.060532  0.217244  0.670981  1
  Mg  Mg72  1  0.894174  0.546374  0.682423  1
  Mg  Mg73  1  0.315455  0.043262  0.698943  1
  Mg  Mg74  1  0.147442  0.371523  0.710351  1
  Mg  Mg75  1  0.983108  0.697107  0.721768  1
  Mg  Mg76  1  0.732508  0.876497  0.693961  1
  Mg  Mg77  1  0.564728  0.207629  0.704703  1
  Mg  Mg78  1  0.401033  0.534572  0.716149  1
