# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07395770
_cell_length_b   12.78854906
_cell_length_c   45.46831583
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg108
_cell_volume   5388.33925431
_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  0.261048  0.171994  0.287865  1
  Mg  Mg2  1  0.815889  0.172280  0.287908  1
  Mg  Mg3  1  0.155834  0.447150  0.317910  1
  Mg  Mg4  1  0.214271  0.820253  0.313059  1
  Mg  Mg5  1  0.857834  0.532883  0.280162  1
  Mg  Mg6  1  0.733331  0.782189  0.310695  1
  Mg  Mg7  1  0.481015  0.287055  0.310355  1
  Mg  Mg8  1  0.970660  0.308453  0.315726  1
  Mg  Mg9  1  0.515006  0.680818  0.287639  1
  Mg  Mg10  1  0.608477  0.032441  0.281762  1
  Mg  Mg11  1  0.052066  0.681491  0.287466  1
  Mg  Mg12  1  0.887655  0.945701  0.320777  1
  Mg  Mg13  1  0.091678  0.066230  0.343671  1
  Mg  Mg14  1  0.589998  0.069279  0.348544  1
  Mg  Mg15  1  0.959545  0.330796  0.381323  1
  Mg  Mg16  1  0.015526  0.716341  0.353744  1
  Mg  Mg17  1  0.646927  0.446462  0.317938  1
  Mg  Mg18  1  0.517756  0.716577  0.353888  1
  Mg  Mg19  1  0.265990  0.219161  0.353631  1
  Mg  Mg20  1  0.764638  0.218874  0.353729  1
  Mg  Mg21  1  0.339389  0.571254  0.342101  1
  Mg  Mg22  1  0.415877  0.945451  0.320580  1
  Mg  Mg23  1  0.844547  0.560496  0.346875  1
  Mg  Mg24  1  0.708172  0.833937  0.378302  1
  Mg  Mg25  1  0.883663  0.986430  0.386992  1
  Mg  Mg26  1  0.379931  0.986353  0.386720  1
  Mg  Mg27  1  0.748496  0.253026  0.420827  1
  Mg  Mg28  1  0.824701  0.600861  0.413466  1
  Mg  Mg29  1  0.457113  0.335789  0.378807  1
  Mg  Mg30  1  0.325976  0.598481  0.411862  1
  Mg  Mg31  1  0.075612  0.099097  0.413476  1
  Mg  Mg32  1  0.574239  0.101897  0.414563  1
  Mg  Mg33  1  0.132975  0.484252  0.385387  1
  Mg  Mg34  1  0.208764  0.832276  0.379955  1
  Mg  Mg35  1  0.632935  0.484093  0.385286  1
  Mg  Mg36  1  0.498146  0.753375  0.420725  1
  Mg  Mg37  1  0.692022  0.866766  0.446765  1
  Mg  Mg38  1  0.191625  0.867194  0.447547  1
  Mg  Mg39  1  0.558049  0.134939  0.482163  1
  Mg  Mg40  1  0.615586  0.519072  0.453165  1
  Mg  Mg41  1  0.248829  0.253084  0.420648  1
  Mg  Mg42  1  0.115883  0.519375  0.453453  1
  Mg  Mg43  1  0.865090  0.019762  0.454886  1
  Mg  Mg44  1  0.365875  0.019635  0.454412  1
  Mg  Mg45  1  0.941402  0.367824  0.447934  1
  Mg  Mg46  1  0.998983  0.753096  0.420541  1
  Mg  Mg47  1  0.441912  0.366785  0.447115  1
  Mg  Mg48  1  0.308983  0.633116  0.480267  1
  Mg  Mg49  1  0.482134  0.786398  0.488455  1
  Mg  Mg50  1  0.982752  0.785774  0.488111  1
  Mg  Mg51  1  0.348970  0.053426  0.522004  1
  Mg  Mg52  1  0.425335  0.400335  0.514828  1
  Mg  Mg53  1  0.058183  0.134436  0.481454  1
  Mg  Mg54  1  0.925507  0.400404  0.515218  1
  Mg  Mg55  1  0.675424  0.900675  0.514673  1
  Mg  Mg56  1  0.174807  0.901299  0.515017  1
  Mg  Mg57  1  0.732223  0.286738  0.488300  1
  Mg  Mg58  1  0.808589  0.633647  0.481125  1
  Mg  Mg59  1  0.232052  0.286668  0.487911  1
  Mg  Mg60  1  0.099376  0.552637  0.521675  1
  Mg  Mg61  1  0.292469  0.667310  0.548243  1
  Mg  Mg62  1  0.791683  0.667437  0.548717  1
  Mg  Mg63  1  0.158575  0.933976  0.582588  1
  Mg  Mg64  1  0.216156  0.319249  0.555195  1
  Mg  Mg65  1  0.848575  0.053956  0.522862  1
  Mg  Mg66  1  0.715647  0.320288  0.556014  1
  Mg  Mg67  1  0.465537  0.820307  0.556363  1
  Mg  Mg68  1  0.965933  0.819878  0.555582  1
  Mg  Mg69  1  0.541973  0.168000  0.549964  1
  Mg  Mg70  1  0.599510  0.552134  0.520966  1
  Mg  Mg71  1  0.041675  0.167698  0.549676  1
  Mg  Mg72  1  0.908730  0.433989  0.582480  1
  Mg  Mg73  1  0.081947  0.587975  0.589653  1
  Mg  Mg74  1  0.583320  0.585175  0.588566  1
  Mg  Mg75  1  0.948794  0.854797  0.623174  1
  Mg  Mg76  1  0.024583  0.202821  0.617741  1
  Mg  Mg77  1  0.659412  0.933697  0.582403  1
  Mg  Mg78  1  0.524623  0.202979  0.617843  1
  Mg  Mg79  1  0.273896  0.700643  0.616137  1
  Mg  Mg80  1  0.777628  0.700719  0.616408  1
  Mg  Mg81  1  0.332858  0.086211  0.589663  1
  Mg  Mg82  1  0.409063  0.434047  0.582301  1
  Mg  Mg83  1  0.831582  0.088591  0.591267  1
  Mg  Mg84  1  0.700445  0.351284  0.624322  1
  Mg  Mg85  1  0.891568  0.467912  0.649498  1
  Mg  Mg86  1  0.392920  0.468198  0.649400  1
  Mg  Mg87  1  0.741682  0.741622  0.682548  1
  Mg  Mg88  1  0.818169  0.115819  0.661028  1
  Mg  Mg89  1  0.449387  0.853136  0.624826  1
  Mg  Mg90  1  0.313011  0.126577  0.656253  1
  Mg  Mg91  1  0.065880  0.620843  0.659458  1
  Mg  Mg92  1  0.567560  0.617794  0.654585  1
  Mg  Mg93  1  0.142032  0.970732  0.649385  1
  Mg  Mg94  1  0.198014  0.356277  0.621805  1
  Mg  Mg95  1  0.639802  0.970496  0.649241  1
  Mg  Mg96  1  0.510632  0.240611  0.685190  1
  Mg  Mg97  1  0.676543  0.400018  0.692774  1
  Mg  Mg98  1  0.186898  0.378620  0.687403  1
  Mg  Mg99  1  0.549082  0.654632  0.721367  1
  Mg  Mg100  1  0.642553  0.006254  0.715489  1
  Mg  Mg101  1  0.269904  0.741372  0.682351  1
  Mg  Mg102  1  0.105493  0.005582  0.715662  1
  Mg  Mg103  1  0.896510  0.515079  0.715264  1
  Mg  Mg104  1  0.341669  0.514792  0.715221  1
  Mg  Mg105  1  0.943288  0.866820  0.690070  1
  Mg  Mg106  1  0.001724  0.239922  0.685219  1
  Mg  Mg107  1  0.424227  0.904884  0.692434  1
  Mg  Mg108  1  0.299724  0.154190  0.722967  1
