# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.54625063
_cell_length_b   14.07628001
_cell_length_c   45.91646480
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.92959177
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg168
_cell_volume   8659.65974334
_cell_formula_units_Z   168
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  0.767481  0.316696  0.306215  1
  Mg  Mg2  1  0.434148  0.316696  0.306215  1
  Mg  Mg3  1  0.367040  0.840825  0.291070  1
  Mg  Mg4  1  0.100815  0.316696  0.306215  1
  Mg  Mg5  1  0.033706  0.840825  0.291070  1
  Mg  Mg6  1  0.700373  0.840825  0.291070  1
  Mg  Mg7  1  0.581858  0.049047  0.313069  1
  Mg  Mg8  1  0.248524  0.049047  0.313069  1
  Mg  Mg9  1  0.180624  0.580315  0.298458  1
  Mg  Mg10  1  0.915191  0.049047  0.313069  1
  Mg  Mg11  1  0.847291  0.580315  0.298458  1
  Mg  Mg12  1  0.513958  0.580315  0.298458  1
  Mg  Mg13  1  0.571423  0.255891  0.335184  1
  Mg  Mg14  1  0.238090  0.255891  0.335184  1
  Mg  Mg15  1  0.171122  0.784915  0.320348  1
  Mg  Mg16  1  0.904757  0.255891  0.335184  1
  Mg  Mg17  1  0.837788  0.784915  0.320348  1
  Mg  Mg18  1  0.504455  0.784915  0.320348  1
  Mg  Mg19  1  0.385643  0.991556  0.343058  1
  Mg  Mg20  1  0.052310  0.991556  0.343058  1
  Mg  Mg21  1  0.983917  0.521613  0.327641  1
  Mg  Mg22  1  0.718977  0.991556  0.343058  1
  Mg  Mg23  1  0.650584  0.521613  0.327641  1
  Mg  Mg24  1  0.317251  0.521613  0.327641  1
  Mg  Mg25  1  0.375765  0.197649  0.366719  1
  Mg  Mg26  1  0.042432  0.197649  0.366719  1
  Mg  Mg27  1  0.974826  0.726264  0.351477  1
  Mg  Mg28  1  0.709099  0.197649  0.366719  1
  Mg  Mg29  1  0.641493  0.726264  0.351477  1
  Mg  Mg30  1  0.308160  0.726264  0.351477  1
  Mg  Mg31  1  0.189070  0.932958  0.374032  1
  Mg  Mg32  1  0.855736  0.932958  0.374032  1
  Mg  Mg33  1  0.786912  0.462152  0.359077  1
  Mg  Mg34  1  0.522403  0.932958  0.374032  1
  Mg  Mg35  1  0.453579  0.462152  0.359077  1
  Mg  Mg36  1  0.120245  0.462152  0.359077  1
  Mg  Mg37  1  0.180619  0.139659  0.397399  1
  Mg  Mg38  1  0.847286  0.139659  0.397399  1
  Mg  Mg39  1  0.779076  0.668350  0.381882  1
  Mg  Mg40  1  0.513953  0.139659  0.397399  1
  Mg  Mg41  1  0.445742  0.668350  0.381882  1
  Mg  Mg42  1  0.112409  0.668350  0.381882  1
  Mg  Mg43  1  0.993272  0.875215  0.405353  1
  Mg  Mg44  1  0.659939  0.875215  0.405353  1
  Mg  Mg45  1  0.590837  0.403801  0.389417  1
  Mg  Mg46  1  0.326606  0.875215  0.405353  1
  Mg  Mg47  1  0.257503  0.403801  0.389417  1
  Mg  Mg48  1  0.924170  0.403801  0.389417  1
  Mg  Mg49  1  0.984473  0.080576  0.429134  1
  Mg  Mg50  1  0.651140  0.080576  0.429134  1
  Mg  Mg51  1  0.582938  0.609686  0.413632  1
  Mg  Mg52  1  0.317806  0.080576  0.429134  1
  Mg  Mg53  1  0.249605  0.609686  0.413632  1
  Mg  Mg54  1  0.916272  0.609686  0.413632  1
  Mg  Mg55  1  0.797099  0.816185  0.436882  1
  Mg  Mg56  1  0.463765  0.816185  0.436882  1
  Mg  Mg57  1  0.394748  0.345213  0.421383  1
  Mg  Mg58  1  0.130432  0.816185  0.436882  1
  Mg  Mg59  1  0.061415  0.345213  0.421383  1
  Mg  Mg60  1  0.728081  0.345213  0.421383  1
  Mg  Mg61  1  0.788944  0.022560  0.460464  1
  Mg  Mg62  1  0.455611  0.022560  0.460464  1
  Mg  Mg63  1  0.386850  0.551373  0.444789  1
  Mg  Mg64  1  0.122277  0.022560  0.460464  1
  Mg  Mg65  1  0.053517  0.551373  0.444789  1
  Mg  Mg66  1  0.720184  0.551373  0.444789  1
  Mg  Mg67  1  0.601214  0.757986  0.468362  1
  Mg  Mg68  1  0.267881  0.757986  0.468362  1
  Mg  Mg69  1  0.199026  0.287039  0.452572  1
  Mg  Mg70  1  0.934547  0.757986  0.468362  1
  Mg  Mg71  1  0.865693  0.287039  0.452572  1
  Mg  Mg72  1  0.532360  0.287039  0.452572  1
  Mg  Mg73  1  0.593029  0.963966  0.492134  1
  Mg  Mg74  1  0.259696  0.963966  0.492134  1
  Mg  Mg75  1  0.190976  0.492986  0.476456  1
  Mg  Mg76  1  0.926363  0.963966  0.492134  1
  Mg  Mg77  1  0.857643  0.492986  0.476456  1
  Mg  Mg78  1  0.524310  0.492986  0.476456  1
  Mg  Mg79  1  0.405329  0.699537  0.499927  1
  Mg  Mg80  1  0.071996  0.699537  0.499927  1
  Mg  Mg81  1  0.003090  0.228458  0.484289  1
  Mg  Mg82  1  0.738662  0.699537  0.499927  1
  Mg  Mg83  1  0.669757  0.228458  0.484289  1
  Mg  Mg84  1  0.336423  0.228458  0.484289  1
  Mg  Mg85  1  0.397408  0.905946  0.523497  1
  Mg  Mg86  1  0.064075  0.905946  0.523497  1
  Mg  Mg87  1  0.995169  0.434866  0.507860  1
  Mg  Mg88  1  0.730742  0.905946  0.523497  1
  Mg  Mg89  1  0.661836  0.434866  0.507860  1
  Mg  Mg90  1  0.328503  0.434866  0.507860  1
  Mg  Mg91  1  0.209522  0.641418  0.531330  1
  Mg  Mg92  1  0.876189  0.641418  0.531330  1
  Mg  Mg93  1  0.807469  0.170437  0.515652  1
  Mg  Mg94  1  0.542855  0.641418  0.531330  1
  Mg  Mg95  1  0.474136  0.170437  0.515652  1
  Mg  Mg96  1  0.140803  0.170437  0.515652  1
  Mg  Mg97  1  0.201472  0.847365  0.555214  1
  Mg  Mg98  1  0.868139  0.847365  0.555214  1
  Mg  Mg99  1  0.799284  0.376418  0.539424  1
  Mg  Mg100  1  0.534805  0.847365  0.555214  1
  Mg  Mg101  1  0.465951  0.376418  0.539424  1
  Mg  Mg102  1  0.132618  0.376418  0.539424  1
  Mg  Mg103  1  0.013648  0.583030  0.562997  1
  Mg  Mg104  1  0.680315  0.583030  0.562997  1
  Mg  Mg105  1  0.611554  0.111843  0.547323  1
  Mg  Mg106  1  0.346981  0.583030  0.562997  1
  Mg  Mg107  1  0.278221  0.111843  0.547323  1
  Mg  Mg108  1  0.944888  0.111843  0.547323  1
  Mg  Mg109  1  0.005751  0.789190  0.586403  1
  Mg  Mg110  1  0.672417  0.789190  0.586403  1
  Mg  Mg111  1  0.603400  0.318218  0.570905  1
  Mg  Mg112  1  0.339084  0.789190  0.586403  1
  Mg  Mg113  1  0.270066  0.318218  0.570905  1
  Mg  Mg114  1  0.936733  0.318218  0.570905  1
  Mg  Mg115  1  0.817560  0.524718  0.594154  1
  Mg  Mg116  1  0.484227  0.524718  0.594154  1
  Mg  Mg117  1  0.416025  0.053827  0.578652  1
  Mg  Mg118  1  0.150893  0.524718  0.594154  1
  Mg  Mg119  1  0.082692  0.053827  0.578652  1
  Mg  Mg120  1  0.749359  0.053827  0.578652  1
  Mg  Mg121  1  0.809662  0.730603  0.618369  1
  Mg  Mg122  1  0.476328  0.730603  0.618369  1
  Mg  Mg123  1  0.407226  0.259189  0.602433  1
  Mg  Mg124  1  0.142995  0.730603  0.618369  1
  Mg  Mg125  1  0.073893  0.259189  0.602433  1
  Mg  Mg126  1  0.740559  0.259189  0.602433  1
  Mg  Mg127  1  0.621423  0.466054  0.625904  1
  Mg  Mg128  1  0.288089  0.466054  0.625904  1
  Mg  Mg129  1  0.219879  0.994745  0.610387  1
  Mg  Mg130  1  0.954756  0.466054  0.625904  1
  Mg  Mg131  1  0.886546  0.994745  0.610387  1
  Mg  Mg132  1  0.553212  0.994745  0.610387  1
  Mg  Mg133  1  0.613586  0.672251  0.648709  1
  Mg  Mg134  1  0.280253  0.672251  0.648709  1
  Mg  Mg135  1  0.211429  0.201446  0.633755  1
  Mg  Mg136  1  0.946920  0.672251  0.648709  1
  Mg  Mg137  1  0.878095  0.201446  0.633755  1
  Mg  Mg138  1  0.544762  0.201446  0.633755  1
  Mg  Mg139  1  0.425672  0.408139  0.656309  1
  Mg  Mg140  1  0.092339  0.408139  0.656309  1
  Mg  Mg141  1  0.024733  0.936755  0.641068  1
  Mg  Mg142  1  0.759005  0.408139  0.656309  1
  Mg  Mg143  1  0.691400  0.936755  0.641068  1
  Mg  Mg144  1  0.358066  0.936755  0.641068  1
  Mg  Mg145  1  0.416581  0.612790  0.680145  1
  Mg  Mg146  1  0.083248  0.612790  0.680145  1
  Mg  Mg147  1  0.014855  0.142848  0.664728  1
  Mg  Mg148  1  0.749914  0.612790  0.680145  1
  Mg  Mg149  1  0.681522  0.142848  0.664728  1
  Mg  Mg150  1  0.348188  0.142848  0.664728  1
  Mg  Mg151  1  0.229377  0.349489  0.687438  1
  Mg  Mg152  1  0.896043  0.349489  0.687438  1
  Mg  Mg153  1  0.829075  0.878513  0.672602  1
  Mg  Mg154  1  0.562710  0.349489  0.687438  1
  Mg  Mg155  1  0.495742  0.878513  0.672602  1
  Mg  Mg156  1  0.162408  0.878513  0.672602  1
  Mg  Mg157  1  0.219874  0.554089  0.709328  1
  Mg  Mg158  1  0.886541  0.554089  0.709328  1
  Mg  Mg159  1  0.818641  0.085356  0.694717  1
  Mg  Mg160  1  0.553207  0.554089  0.709328  1
  Mg  Mg161  1  0.485307  0.085356  0.694717  1
  Mg  Mg162  1  0.151974  0.085356  0.694717  1
  Mg  Mg163  1  0.033459  0.293579  0.716716  1
  Mg  Mg164  1  0.700125  0.293579  0.716716  1
  Mg  Mg165  1  0.633017  0.817707  0.701572  1
  Mg  Mg166  1  0.366792  0.293579  0.716716  1
  Mg  Mg167  1  0.299684  0.817707  0.701572  1
  Mg  Mg168  1  0.966350  0.817707  0.701572  1
