# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50112426
_cell_length_b   20.93917414
_cell_length_c   45.85859605
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.54261272
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg104
_cell_volume   5236.69980951
_cell_formula_units_Z   104
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  0.946117  0.957314  0.280447  1
  Mg  Mg2  1  0.195902  0.450816  0.297441  1
  Mg  Mg3  1  0.466544  0.326557  0.293344  1
  Mg  Mg4  1  0.719783  0.824636  0.309792  1
  Mg  Mg5  1  0.070143  0.202507  0.288849  1
  Mg  Mg6  1  0.322777  0.698671  0.306024  1
  Mg  Mg7  1  0.671688  0.078995  0.284735  1
  Mg  Mg8  1  0.925238  0.574928  0.301984  1
  Mg  Mg9  1  0.442858  0.948298  0.313738  1
  Mg  Mg10  1  0.692905  0.445114  0.331119  1
  Mg  Mg11  1  0.965350  0.321003  0.326855  1
  Mg  Mg12  1  0.215536  0.818136  0.343531  1
  Mg  Mg13  1  0.567454  0.197026  0.322626  1
  Mg  Mg14  1  0.818595  0.693696  0.339613  1
  Mg  Mg15  1  0.169818  0.073093  0.318446  1
  Mg  Mg16  1  0.420706  0.569174  0.335523  1
  Mg  Mg17  1  0.940068  0.942615  0.348142  1
  Mg  Mg18  1  0.189695  0.439414  0.365371  1
  Mg  Mg19  1  0.461135  0.315246  0.361143  1
  Mg  Mg20  1  0.711381  0.812267  0.377981  1
  Mg  Mg21  1  0.064178  0.191054  0.356812  1
  Mg  Mg22  1  0.315202  0.688016  0.373882  1
  Mg  Mg23  1  0.667332  0.066496  0.352395  1
  Mg  Mg24  1  0.918378  0.563704  0.369726  1
  Mg  Mg25  1  0.437347  0.936444  0.382336  1
  Mg  Mg26  1  0.686703  0.433690  0.399776  1
  Mg  Mg27  1  0.957957  0.309412  0.395505  1
  Mg  Mg28  1  0.207841  0.806413  0.412503  1
  Mg  Mg29  1  0.561513  0.185043  0.391171  1
  Mg  Mg30  1  0.811765  0.682188  0.408319  1
  Mg  Mg31  1  0.165231  0.060809  0.386868  1
  Mg  Mg32  1  0.415235  0.557939  0.404111  1
  Mg  Mg33  1  0.934659  0.930599  0.417079  1
  Mg  Mg34  1  0.183684  0.427819  0.434434  1
  Mg  Mg35  1  0.455051  0.303493  0.430144  1
  Mg  Mg36  1  0.704557  0.800548  0.447249  1
  Mg  Mg37  1  0.058589  0.179199  0.425820  1
  Mg  Mg38  1  0.308504  0.676339  0.443019  1
  Mg  Mg39  1  0.662377  0.054846  0.421443  1
  Mg  Mg40  1  0.912122  0.552088  0.438767  1
  Mg  Mg41  1  0.431734  0.924752  0.451660  1
  Mg  Mg42  1  0.680664  0.421956  0.469034  1
  Mg  Mg43  1  0.952115  0.297661  0.464734  1
  Mg  Mg44  1  0.201427  0.794750  0.481912  1
  Mg  Mg45  1  0.555786  0.173330  0.460411  1
  Mg  Mg46  1  0.805413  0.670508  0.477640  1
  Mg  Mg47  1  0.159610  0.049044  0.456085  1
  Mg  Mg48  1  0.409116  0.546247  0.473369  1
  Mg  Mg49  1  0.928860  0.918964  0.486359  1
  Mg  Mg50  1  0.177706  0.416109  0.503668  1
  Mg  Mg51  1  0.449207  0.291799  0.499350  1
  Mg  Mg52  1  0.698417  0.788946  0.516568  1
  Mg  Mg53  1  0.052881  0.167505  0.495045  1
  Mg  Mg54  1  0.302402  0.664692  0.512304  1
  Mg  Mg55  1  0.656675  0.043199  0.490692  1
  Mg  Mg56  1  0.906137  0.540399  0.507984  1
  Mg  Mg57  1  0.425867  0.913141  0.521020  1
  Mg  Mg58  1  0.674721  0.410260  0.538286  1
  Mg  Mg59  1  0.946286  0.285962  0.533981  1
  Mg  Mg60  1  0.195474  0.783141  0.551266  1
  Mg  Mg61  1  0.550006  0.161659  0.529668  1
  Mg  Mg62  1  0.799508  0.658860  0.546929  1
  Mg  Mg63  1  0.153762  0.037403  0.525352  1
  Mg  Mg64  1  0.403195  0.534581  0.542620  1
  Mg  Mg65  1  0.922924  0.907366  0.555677  1
  Mg  Mg66  1  0.171799  0.404423  0.572900  1
  Mg  Mg67  1  0.443365  0.280104  0.568560  1
  Mg  Mg68  1  0.692621  0.777311  0.585822  1
  Mg  Mg69  1  0.047051  0.155813  0.564291  1
  Mg  Mg70  1  0.296622  0.653058  0.581586  1
  Mg  Mg71  1  0.650686  0.031552  0.559953  1
  Mg  Mg72  1  0.900271  0.528718  0.577190  1
  Mg  Mg73  1  0.419773  0.901476  0.590424  1
  Mg  Mg74  1  0.668784  0.398562  0.607529  1
  Mg  Mg75  1  0.940399  0.274241  0.603224  1
  Mg  Mg76  1  0.189744  0.771489  0.620569  1
  Mg  Mg77  1  0.544121  0.149953  0.598944  1
  Mg  Mg78  1  0.793866  0.647111  0.616192  1
  Mg  Mg79  1  0.147684  0.025715  0.594658  1
  Mg  Mg80  1  0.397266  0.522918  0.611866  1
  Mg  Mg81  1  0.916599  0.895677  0.624928  1
  Mg  Mg82  1  0.165813  0.392678  0.641933  1
  Mg  Mg83  1  0.437656  0.268467  0.637576  1
  Mg  Mg84  1  0.687266  0.765411  0.654701  1
  Mg  Mg85  1  0.041233  0.144183  0.633376  1
  Mg  Mg86  1  0.290886  0.641428  0.650689  1
  Mg  Mg87  1  0.644555  0.019897  0.629054  1
  Mg  Mg88  1  0.894179  0.516971  0.646197  1
  Mg  Mg89  1  0.413473  0.889741  0.659378  1
  Mg  Mg90  1  0.662883  0.386827  0.676132  1
  Mg  Mg91  1  0.935986  0.262738  0.671853  1
  Mg  Mg92  1  0.183807  0.759389  0.689086  1
  Mg  Mg93  1  0.538515  0.138617  0.667580  1
  Mg  Mg94  1  0.787757  0.635236  0.684779  1
  Mg  Mg95  1  0.140998  0.014250  0.663350  1
  Mg  Mg96  1  0.389832  0.510967  0.680401  1
  Mg  Mg97  1  0.908375  0.883854  0.693102  1
  Mg  Mg98  1  0.160101  0.381198  0.709864  1
  Mg  Mg99  1  0.431810  0.257151  0.705368  1
  Mg  Mg100  1  0.679282  0.752218  0.722266  1
  Mg  Mg101  1  0.036086  0.133052  0.701306  1
  Mg  Mg102  1  0.283488  0.628468  0.718488  1
  Mg  Mg103  1  0.640301  0.009160  0.696801  1
  Mg  Mg104  1  0.887388  0.505078  0.713945  1
