# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.44446975
_cell_length_b   10.82712925
_cell_length_c   46.70643537
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.27105595
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg108
_cell_volume   5666.58946159
_cell_formula_units_Z   108
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  0.895735  0.717013  0.292701  1
  Mg  Mg2  1  0.163839  0.707355  0.308117  1
  Mg  Mg3  1  0.437949  0.688497  0.322642  1
  Mg  Mg4  1  0.908106  0.444828  0.316719  1
  Mg  Mg5  1  0.179243  0.432150  0.331928  1
  Mg  Mg6  1  0.638897  0.457956  0.301239  1
  Mg  Mg7  1  0.801172  0.196260  0.315200  1
  Mg  Mg8  1  0.073959  0.180599  0.330981  1
  Mg  Mg9  1  0.532451  0.211235  0.299808  1
  Mg  Mg10  1  0.966592  0.931934  0.329366  1
  Mg  Mg11  1  0.427045  0.963368  0.299043  1
  Mg  Mg12  1  0.696335  0.947356  0.313496  1
  Mg  Mg13  1  0.709284  0.673237  0.337869  1
  Mg  Mg14  1  0.981783  0.657569  0.354225  1
  Mg  Mg15  1  0.254029  0.642975  0.369833  1
  Mg  Mg16  1  0.724217  0.398354  0.362957  1
  Mg  Mg17  1  0.996489  0.383045  0.378767  1
  Mg  Mg18  1  0.452451  0.415100  0.347036  1
  Mg  Mg19  1  0.618015  0.149710  0.361502  1
  Mg  Mg20  1  0.889980  0.134799  0.377457  1
  Mg  Mg21  1  0.346701  0.165795  0.346058  1
  Mg  Mg22  1  0.783884  0.885782  0.375911  1
  Mg  Mg23  1  0.240356  0.916693  0.344916  1
  Mg  Mg24  1  0.512037  0.901685  0.360591  1
  Mg  Mg25  1  0.526056  0.626982  0.385220  1
  Mg  Mg26  1  0.797971  0.611139  0.401121  1
  Mg  Mg27  1  0.070830  0.595520  0.417410  1
  Mg  Mg28  1  0.540431  0.352291  0.410333  1
  Mg  Mg29  1  0.813080  0.336646  0.426578  1
  Mg  Mg30  1  0.268328  0.368176  0.394483  1
  Mg  Mg31  1  0.434280  0.103847  0.409209  1
  Mg  Mg32  1  0.706744  0.087796  0.425189  1
  Mg  Mg33  1  0.162435  0.119301  0.393371  1
  Mg  Mg34  1  0.600687  0.839048  0.424006  1
  Mg  Mg35  1  0.056201  0.870568  0.391941  1
  Mg  Mg36  1  0.328435  0.854978  0.407955  1
  Mg  Mg37  1  0.343151  0.580099  0.433295  1
  Mg  Mg38  1  0.615097  0.564471  0.449189  1
  Mg  Mg39  1  0.887424  0.549082  0.465231  1
  Mg  Mg40  1  0.357561  0.305732  0.458474  1
  Mg  Mg41  1  0.629730  0.290052  0.474440  1
  Mg  Mg42  1  0.085490  0.321155  0.442553  1
  Mg  Mg43  1  0.251486  0.056841  0.457250  1
  Mg  Mg44  1  0.523578  0.041328  0.473212  1
  Mg  Mg45  1  0.979243  0.072322  0.441221  1
  Mg  Mg46  1  0.417423  0.792541  0.471966  1
  Mg  Mg47  1  0.872926  0.823525  0.439831  1
  Mg  Mg48  1  0.145246  0.808121  0.455929  1
  Mg  Mg49  1  0.159852  0.533550  0.481345  1
  Mg  Mg50  1  0.431955  0.518014  0.497300  1
  Mg  Mg51  1  0.704087  0.502524  0.513198  1
  Mg  Mg52  1  0.174331  0.259139  0.506531  1
  Mg  Mg53  1  0.446420  0.243678  0.522468  1
  Mg  Mg54  1  0.902169  0.274571  0.490529  1
  Mg  Mg55  1  0.068130  0.010392  0.505251  1
  Mg  Mg56  1  0.340293  0.994896  0.521242  1
  Mg  Mg57  1  0.795913  0.025780  0.489179  1
  Mg  Mg58  1  0.234064  0.746173  0.519963  1
  Mg  Mg59  1  0.689690  0.776998  0.487929  1
  Mg  Mg60  1  0.961875  0.761619  0.503903  1
  Mg  Mg61  1  0.976473  0.487038  0.529310  1
  Mg  Mg62  1  0.248702  0.471481  0.545389  1
  Mg  Mg63  1  0.520823  0.456000  0.561327  1
  Mg  Mg64  1  0.991096  0.212738  0.554579  1
  Mg  Mg65  1  0.263147  0.197214  0.570541  1
  Mg  Mg66  1  0.718775  0.228152  0.538444  1
  Mg  Mg67  1  0.884809  0.963936  0.553206  1
  Mg  Mg68  1  0.157023  0.948474  0.569306  1
  Mg  Mg69  1  0.612595  0.979362  0.537187  1
  Mg  Mg70  1  0.050748  0.699572  0.567921  1
  Mg  Mg71  1  0.506416  0.730465  0.535942  1
  Mg  Mg72  1  0.778613  0.715060  0.551893  1
  Mg  Mg73  1  0.793009  0.440584  0.577176  1
  Mg  Mg74  1  0.065715  0.424992  0.593491  1
  Mg  Mg75  1  0.337720  0.409258  0.609533  1
  Mg  Mg76  1  0.807797  0.165948  0.602453  1
  Mg  Mg77  1  0.080013  0.150583  0.618597  1
  Mg  Mg78  1  0.535454  0.181722  0.586356  1
  Mg  Mg79  1  0.701872  0.917007  0.601165  1
  Mg  Mg80  1  0.973938  0.901666  0.617132  1
  Mg  Mg81  1  0.429533  0.932533  0.585141  1
  Mg  Mg82  1  0.867780  0.653071  0.615835  1
  Mg  Mg83  1  0.323050  0.683983  0.583917  1
  Mg  Mg84  1  0.595900  0.668052  0.599944  1
  Mg  Mg85  1  0.609575  0.393671  0.625286  1
  Mg  Mg86  1  0.881658  0.378227  0.640572  1
  Mg  Mg87  1  0.154262  0.362977  0.656919  1
  Mg  Mg88  1  0.623969  0.119443  0.649675  1
  Mg  Mg89  1  0.895375  0.104486  0.665466  1
  Mg  Mg90  1  0.352490  0.134327  0.634060  1
  Mg  Mg91  1  0.518331  0.870127  0.648670  1
  Mg  Mg92  1  0.789126  0.856060  0.664311  1
  Mg  Mg93  1  0.246264  0.886086  0.633087  1
  Mg  Mg94  1  0.683867  0.606090  0.663184  1
  Mg  Mg95  1  0.139519  0.637922  0.631740  1
  Mg  Mg96  1  0.412118  0.622023  0.647365  1
  Mg  Mg97  1  0.426709  0.347404  0.672618  1
  Mg  Mg98  1  0.696796  0.332783  0.687720  1
  Mg  Mg99  1  0.967708  0.314397  0.702117  1
  Mg  Mg100  1  0.442059  0.069532  0.696015  1
  Mg  Mg101  1  0.708603  0.059047  0.711378  1
  Mg  Mg102  1  0.169124  0.088004  0.680916  1
  Mg  Mg103  1  0.335474  0.823291  0.695165  1
  Mg  Mg104  1  0.604592  0.810210  0.710559  1
  Mg  Mg105  1  0.062095  0.840889  0.679646  1
  Mg  Mg106  1  0.499336  0.564498  0.708948  1
  Mg  Mg107  1  0.955483  0.590570  0.678288  1
  Mg  Mg108  1  0.228305  0.578480  0.693469  1
