# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.53811908
_cell_length_b   14.07858007
_cell_length_c   46.52990111
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.86592445
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg168
_cell_volume   8779.53058537
_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  0.773130  0.320961  0.300758  1
  Mg  Mg2  1  0.439797  0.320961  0.300758  1
  Mg  Mg3  1  0.371461  0.848117  0.286585  1
  Mg  Mg4  1  0.106463  0.320961  0.300758  1
  Mg  Mg5  1  0.038128  0.848117  0.286585  1
  Mg  Mg6  1  0.704794  0.848117  0.286585  1
  Mg  Mg7  1  0.587648  0.055335  0.307297  1
  Mg  Mg8  1  0.254315  0.055335  0.307297  1
  Mg  Mg9  1  0.185567  0.585413  0.293126  1
  Mg  Mg10  1  0.920982  0.055335  0.307297  1
  Mg  Mg11  1  0.852234  0.585413  0.293126  1
  Mg  Mg12  1  0.518900  0.585413  0.293126  1
  Mg  Mg13  1  0.576681  0.261498  0.330026  1
  Mg  Mg14  1  0.243347  0.261498  0.330026  1
  Mg  Mg15  1  0.174877  0.790126  0.315081  1
  Mg  Mg16  1  0.910014  0.261498  0.330026  1
  Mg  Mg17  1  0.841544  0.790126  0.315081  1
  Mg  Mg18  1  0.508211  0.790126  0.315081  1
  Mg  Mg19  1  0.391493  0.998725  0.338548  1
  Mg  Mg20  1  0.058159  0.998725  0.338548  1
  Mg  Mg21  1  0.989126  0.526405  0.322409  1
  Mg  Mg22  1  0.724826  0.998725  0.338548  1
  Mg  Mg23  1  0.655793  0.526405  0.322409  1
  Mg  Mg24  1  0.322459  0.526405  0.322409  1
  Mg  Mg25  1  0.380968  0.203726  0.362239  1
  Mg  Mg26  1  0.047634  0.203726  0.362239  1
  Mg  Mg27  1  0.979410  0.732400  0.347195  1
  Mg  Mg28  1  0.714301  0.203726  0.362239  1
  Mg  Mg29  1  0.646076  0.732400  0.347195  1
  Mg  Mg30  1  0.312743  0.732400  0.347195  1
  Mg  Mg31  1  0.194748  0.939243  0.369694  1
  Mg  Mg32  1  0.861415  0.939243  0.369694  1
  Mg  Mg33  1  0.792622  0.468205  0.354594  1
  Mg  Mg34  1  0.528082  0.939243  0.369694  1
  Mg  Mg35  1  0.459289  0.468205  0.354594  1
  Mg  Mg36  1  0.125955  0.468205  0.354594  1
  Mg  Mg37  1  0.185820  0.145856  0.393340  1
  Mg  Mg38  1  0.852487  0.145856  0.393340  1
  Mg  Mg39  1  0.783562  0.674216  0.377794  1
  Mg  Mg40  1  0.519153  0.145856  0.393340  1
  Mg  Mg41  1  0.450229  0.674216  0.377794  1
  Mg  Mg42  1  0.116896  0.674216  0.377794  1
  Mg  Mg43  1  0.998868  0.881434  0.401303  1
  Mg  Mg44  1  0.665534  0.881434  0.401303  1
  Mg  Mg45  1  0.596574  0.409837  0.385321  1
  Mg  Mg46  1  0.332201  0.881434  0.401303  1
  Mg  Mg47  1  0.263241  0.409837  0.385321  1
  Mg  Mg48  1  0.929908  0.409837  0.385321  1
  Mg  Mg49  1  0.989814  0.087276  0.424835  1
  Mg  Mg50  1  0.656480  0.087276  0.424835  1
  Mg  Mg51  1  0.587867  0.616122  0.409418  1
  Mg  Mg52  1  0.323147  0.087276  0.424835  1
  Mg  Mg53  1  0.254534  0.616122  0.409418  1
  Mg  Mg54  1  0.921200  0.616122  0.409418  1
  Mg  Mg55  1  0.802912  0.822896  0.432596  1
  Mg  Mg56  1  0.469579  0.822896  0.432596  1
  Mg  Mg57  1  0.400757  0.351847  0.417077  1
  Mg  Mg58  1  0.136246  0.822896  0.432596  1
  Mg  Mg59  1  0.067424  0.351847  0.417077  1
  Mg  Mg60  1  0.734091  0.351847  0.417077  1
  Mg  Mg61  1  0.794203  0.029284  0.456217  1
  Mg  Mg62  1  0.460870  0.029284  0.456217  1
  Mg  Mg63  1  0.391980  0.558017  0.440559  1
  Mg  Mg64  1  0.127537  0.029284  0.456217  1
  Mg  Mg65  1  0.058646  0.558017  0.440559  1
  Mg  Mg66  1  0.725313  0.558017  0.440559  1
  Mg  Mg67  1  0.607107  0.764772  0.464046  1
  Mg  Mg68  1  0.273774  0.764772  0.464046  1
  Mg  Mg69  1  0.204966  0.293759  0.448320  1
  Mg  Mg70  1  0.940440  0.764772  0.464046  1
  Mg  Mg71  1  0.871633  0.293759  0.448320  1
  Mg  Mg72  1  0.538300  0.293759  0.448320  1
  Mg  Mg73  1  0.598340  0.970937  0.487628  1
  Mg  Mg74  1  0.265006  0.970937  0.487628  1
  Mg  Mg75  1  0.196227  0.499920  0.472027  1
  Mg  Mg76  1  0.931673  0.970937  0.487628  1
  Mg  Mg77  1  0.862894  0.499920  0.472027  1
  Mg  Mg78  1  0.529561  0.499920  0.472027  1
  Mg  Mg79  1  0.411307  0.706524  0.495414  1
  Mg  Mg80  1  0.077973  0.706524  0.495414  1
  Mg  Mg81  1  0.009139  0.235471  0.479784  1
  Mg  Mg82  1  0.744640  0.706524  0.495414  1
  Mg  Mg83  1  0.675806  0.235471  0.479784  1
  Mg  Mg84  1  0.342472  0.235471  0.479784  1
  Mg  Mg85  1  0.402611  0.912844  0.518999  1
  Mg  Mg86  1  0.069278  0.912844  0.518999  1
  Mg  Mg87  1  1.000443  0.441791  0.503369  1
  Mg  Mg88  1  0.735944  0.912844  0.518999  1
  Mg  Mg89  1  0.667110  0.441791  0.503369  1
  Mg  Mg90  1  0.333777  0.441791  0.503369  1
  Mg  Mg91  1  0.215523  0.648395  0.526756  1
  Mg  Mg92  1  0.882189  0.648395  0.526756  1
  Mg  Mg93  1  0.813410  0.177378  0.511155  1
  Mg  Mg94  1  0.548856  0.648395  0.526756  1
  Mg  Mg95  1  0.480077  0.177378  0.511155  1
  Mg  Mg96  1  0.146744  0.177378  0.511155  1
  Mg  Mg97  1  0.206783  0.854556  0.550462  1
  Mg  Mg98  1  0.873450  0.854556  0.550462  1
  Mg  Mg99  1  0.804643  0.383544  0.534737  1
  Mg  Mg100  1  0.540117  0.854556  0.550462  1
  Mg  Mg101  1  0.471310  0.383544  0.534737  1
  Mg  Mg102  1  0.137976  0.383544  0.534737  1
  Mg  Mg103  1  0.019770  0.590298  0.558223  1
  Mg  Mg104  1  0.686437  0.590298  0.558223  1
  Mg  Mg105  1  0.617547  0.119031  0.542565  1
  Mg  Mg106  1  0.353104  0.590298  0.558223  1
  Mg  Mg107  1  0.284213  0.119031  0.542565  1
  Mg  Mg108  1  0.950880  0.119031  0.542565  1
  Mg  Mg109  1  0.010992  0.796468  0.581706  1
  Mg  Mg110  1  0.677659  0.796468  0.581706  1
  Mg  Mg111  1  0.608838  0.325419  0.566187  1
  Mg  Mg112  1  0.344326  0.796468  0.581706  1
  Mg  Mg113  1  0.275504  0.325419  0.566187  1
  Mg  Mg114  1  0.942171  0.325419  0.566187  1
  Mg  Mg115  1  0.823883  0.532193  0.589365  1
  Mg  Mg116  1  0.490550  0.532193  0.589365  1
  Mg  Mg117  1  0.421936  0.061039  0.573948  1
  Mg  Mg118  1  0.157216  0.532193  0.589365  1
  Mg  Mg119  1  0.088603  0.061039  0.573948  1
  Mg  Mg120  1  0.755270  0.061039  0.573948  1
  Mg  Mg121  1  0.815176  0.738478  0.613462  1
  Mg  Mg122  1  0.481842  0.738478  0.613462  1
  Mg  Mg123  1  0.412882  0.266881  0.597479  1
  Mg  Mg124  1  0.148509  0.738478  0.613462  1
  Mg  Mg125  1  0.079549  0.266881  0.597479  1
  Mg  Mg126  1  0.746216  0.266881  0.597479  1
  Mg  Mg127  1  0.628188  0.474099  0.620989  1
  Mg  Mg128  1  0.294854  0.474099  0.620989  1
  Mg  Mg129  1  0.225930  1.002459  0.605442  1
  Mg  Mg130  1  0.961521  0.474099  0.620989  1
  Mg  Mg131  1  0.892597  1.002459  0.605442  1
  Mg  Mg132  1  0.559263  1.002459  0.605442  1
  Mg  Mg133  1  0.619128  0.680110  0.644188  1
  Mg  Mg134  1  0.285794  0.680110  0.644188  1
  Mg  Mg135  1  0.217002  0.209073  0.629088  1
  Mg  Mg136  1  0.952461  0.680110  0.644188  1
  Mg  Mg137  1  0.883668  0.209073  0.629088  1
  Mg  Mg138  1  0.550335  0.209073  0.629088  1
  Mg  Mg139  1  0.432340  0.415915  0.651588  1
  Mg  Mg140  1  0.099007  0.415915  0.651588  1
  Mg  Mg141  1  0.030782  0.944589  0.636544  1
  Mg  Mg142  1  0.765674  0.415915  0.651588  1
  Mg  Mg143  1  0.697449  0.944589  0.636544  1
  Mg  Mg144  1  0.364116  0.944589  0.636544  1
  Mg  Mg145  1  0.422624  0.621910  0.676373  1
  Mg  Mg146  1  0.089291  0.621910  0.676373  1
  Mg  Mg147  1  0.020257  0.149590  0.660235  1
  Mg  Mg148  1  0.755957  0.621910  0.676373  1
  Mg  Mg149  1  0.686924  0.149590  0.660235  1
  Mg  Mg150  1  0.353590  0.149590  0.660235  1
  Mg  Mg151  1  0.236872  0.358189  0.683702  1
  Mg  Mg152  1  0.903539  0.358189  0.683702  1
  Mg  Mg153  1  0.835069  0.886817  0.668757  1
  Mg  Mg154  1  0.570206  0.358189  0.683702  1
  Mg  Mg155  1  0.501736  0.886817  0.668757  1
  Mg  Mg156  1  0.168403  0.886817  0.668757  1
  Mg  Mg157  1  0.226183  0.562902  0.705656  1
  Mg  Mg158  1  0.892849  0.562902  0.705656  1
  Mg  Mg159  1  0.824102  0.092980  0.691486  1
  Mg  Mg160  1  0.559516  0.562902  0.705656  1
  Mg  Mg161  1  0.490768  0.092980  0.691486  1
  Mg  Mg162  1  0.157435  0.092980  0.691486  1
  Mg  Mg163  1  0.040289  0.300198  0.712197  1
  Mg  Mg164  1  0.706955  0.300198  0.712197  1
  Mg  Mg165  1  0.638620  0.827354  0.698025  1
  Mg  Mg166  1  0.373622  0.300198  0.712197  1
  Mg  Mg167  1  0.305287  0.827354  0.698025  1
  Mg  Mg168  1  0.971953  0.827354  0.698025  1
