# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.44695505
_cell_length_b   10.82929159
_cell_length_c   46.73306026
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.27106569
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg108
_cell_volume   5672.18375145
_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  0.895670  0.716958  0.292573  1
  Mg  Mg2  1  0.163735  0.707302  0.307979  1
  Mg  Mg3  1  0.437850  0.688451  0.322486  1
  Mg  Mg4  1  0.907987  0.444789  0.316576  1
  Mg  Mg5  1  0.179108  0.432107  0.331773  1
  Mg  Mg6  1  0.638806  0.457878  0.301107  1
  Mg  Mg7  1  0.801090  0.196221  0.315052  1
  Mg  Mg8  1  0.073853  0.180565  0.330821  1
  Mg  Mg9  1  0.532415  0.211157  0.299669  1
  Mg  Mg10  1  0.966517  0.931896  0.329201  1
  Mg  Mg11  1  0.427043  0.963302  0.298901  1
  Mg  Mg12  1  0.696291  0.947315  0.313345  1
  Mg  Mg13  1  0.709181  0.673190  0.337699  1
  Mg  Mg14  1  0.981685  0.657519  0.354053  1
  Mg  Mg15  1  0.253940  0.642916  0.369646  1
  Mg  Mg16  1  0.724104  0.398289  0.362780  1
  Mg  Mg17  1  0.996373  0.382978  0.378579  1
  Mg  Mg18  1  0.452333  0.415040  0.346862  1
  Mg  Mg19  1  0.617926  0.149649  0.361320  1
  Mg  Mg20  1  0.889888  0.134734  0.377264  1
  Mg  Mg21  1  0.346611  0.165743  0.345879  1
  Mg  Mg22  1  0.783812  0.885721  0.375713  1
  Mg  Mg23  1  0.240286  0.916654  0.344733  1
  Mg  Mg24  1  0.511969  0.901633  0.360406  1
  Mg  Mg25  1  0.525964  0.626912  0.385019  1
  Mg  Mg26  1  0.797876  0.611067  0.400908  1
  Mg  Mg27  1  0.070744  0.595441  0.417187  1
  Mg  Mg28  1  0.540317  0.352211  0.410117  1
  Mg  Mg29  1  0.812968  0.336560  0.426354  1
  Mg  Mg30  1  0.268220  0.368100  0.394280  1
  Mg  Mg31  1  0.434188  0.103775  0.408989  1
  Mg  Mg32  1  0.706653  0.087715  0.424959  1
  Mg  Mg33  1  0.162349  0.119233  0.393162  1
  Mg  Mg34  1  0.600618  0.838972  0.423773  1
  Mg  Mg35  1  0.056137  0.870507  0.391729  1
  Mg  Mg36  1  0.328366  0.854911  0.407731  1
  Mg  Mg37  1  0.343064  0.580015  0.433060  1
  Mg  Mg38  1  0.615006  0.564383  0.448941  1
  Mg  Mg39  1  0.887334  0.548991  0.464971  1
  Mg  Mg40  1  0.357451  0.305639  0.458224  1
  Mg  Mg41  1  0.629618  0.289955  0.474178  1
  Mg  Mg42  1  0.085382  0.321065  0.442316  1
  Mg  Mg43  1  0.251397  0.056754  0.456996  1
  Mg  Mg44  1  0.523487  0.041236  0.472946  1
  Mg  Mg45  1  0.979156  0.072238  0.440979  1
  Mg  Mg46  1  0.417352  0.792454  0.471696  1
  Mg  Mg47  1  0.872860  0.823445  0.439585  1
  Mg  Mg48  1  0.145178  0.808038  0.455671  1
  Mg  Mg49  1  0.159764  0.533455  0.481075  1
  Mg  Mg50  1  0.431865  0.517916  0.497018  1
  Mg  Mg51  1  0.703998  0.502422  0.512904  1
  Mg  Mg52  1  0.174221  0.259034  0.506246  1
  Mg  Mg53  1  0.446309  0.243569  0.522172  1
  Mg  Mg54  1  0.902060  0.274469  0.490256  1
  Mg  Mg55  1  0.068041  0.010292  0.504963  1
  Mg  Mg56  1  0.340203  0.994792  0.520942  1
  Mg  Mg57  1  0.795824  0.025684  0.488902  1
  Mg  Mg58  1  0.233993  0.746075  0.519659  1
  Mg  Mg59  1  0.689621  0.776907  0.487648  1
  Mg  Mg60  1  0.961806  0.761525  0.503610  1
  Mg  Mg61  1  0.976384  0.486931  0.529005  1
  Mg  Mg62  1  0.248613  0.471370  0.545073  1
  Mg  Mg63  1  0.520733  0.455886  0.560999  1
  Mg  Mg64  1  0.990985  0.212621  0.554261  1
  Mg  Mg65  1  0.263034  0.197093  0.570210  1
  Mg  Mg66  1  0.718666  0.228039  0.538137  1
  Mg  Mg67  1  0.884719  0.963824  0.552883  1
  Mg  Mg68  1  0.156931  0.948359  0.568971  1
  Mg  Mg69  1  0.612507  0.979254  0.536875  1
  Mg  Mg70  1  0.050676  0.699462  0.567581  1
  Mg  Mg71  1  0.506349  0.730362  0.535626  1
  Mg  Mg72  1  0.778544  0.714953  0.551566  1
  Mg  Mg73  1  0.792918  0.440466  0.576835  1
  Mg  Mg74  1  0.065626  0.424867  0.593140  1
  Mg  Mg75  1  0.337634  0.409129  0.609171  1
  Mg  Mg76  1  0.807686  0.165816  0.602100  1
  Mg  Mg77  1  0.079898  0.150448  0.618233  1
  Mg  Mg78  1  0.535344  0.181598  0.586013  1
  Mg  Mg79  1  0.701785  0.916879  0.600808  1
  Mg  Mg80  1  0.973844  0.901535  0.616763  1
  Mg  Mg81  1  0.429444  0.932414  0.584793  1
  Mg  Mg82  1  0.867709  0.652946  0.615462  1
  Mg  Mg83  1  0.322982  0.683870  0.583565  1
  Mg  Mg84  1  0.595835  0.667930  0.599583  1
  Mg  Mg85  1  0.609489  0.393541  0.624911  1
  Mg  Mg86  1  0.881568  0.378085  0.640184  1
  Mg  Mg87  1  0.154188  0.362825  0.656524  1
  Mg  Mg88  1  0.623855  0.119297  0.649284  1
  Mg  Mg89  1  0.895260  0.104329  0.665071  1
  Mg  Mg90  1  0.352381  0.134188  0.633680  1
  Mg  Mg91  1  0.518242  0.869984  0.648275  1
  Mg  Mg92  1  0.789036  0.855911  0.663913  1
  Mg  Mg93  1  0.246176  0.885953  0.632703  1
  Mg  Mg94  1  0.683806  0.605948  0.662782  1
  Mg  Mg95  1  0.139454  0.637791  0.631351  1
  Mg  Mg96  1  0.412052  0.621891  0.646964  1
  Mg  Mg97  1  0.426632  0.347259  0.672211  1
  Mg  Mg98  1  0.696703  0.332630  0.687301  1
  Mg  Mg99  1  0.967609  0.314250  0.701680  1
  Mg  Mg100  1  0.441928  0.069370  0.695588  1
  Mg  Mg101  1  0.708423  0.058910  0.710942  1
  Mg  Mg102  1  0.169013  0.087842  0.680504  1
  Mg  Mg103  1  0.335377  0.823143  0.694736  1
  Mg  Mg104  1  0.604446  0.810087  0.710121  1
  Mg  Mg105  1  0.062018  0.840732  0.679228  1
  Mg  Mg106  1  0.499240  0.564381  0.708503  1
  Mg  Mg107  1  0.955439  0.590415  0.677865  1
  Mg  Mg108  1  0.228243  0.578357  0.693034  1
