# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.45052814
_cell_length_b   10.82958755
_cell_length_c   46.85620081
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.26995298
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg108
_cell_volume   5689.03756367
_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  0.894119  0.718777  0.290509  1
  Mg  Mg2  1  0.163940  0.706903  0.306012  1
  Mg  Mg3  1  0.437528  0.688073  0.321038  1
  Mg  Mg4  1  0.908001  0.444752  0.314818  1
  Mg  Mg5  1  0.179778  0.430966  0.330245  1
  Mg  Mg6  1  0.637433  0.458993  0.299326  1
  Mg  Mg7  1  0.801010  0.195940  0.313402  1
  Mg  Mg8  1  0.073869  0.180277  0.329186  1
  Mg  Mg9  1  0.530401  0.212061  0.297950  1
  Mg  Mg10  1  0.966526  0.931973  0.327905  1
  Mg  Mg11  1  0.424819  0.963264  0.297044  1
  Mg  Mg12  1  0.695200  0.947444  0.311984  1
  Mg  Mg13  1  0.709367  0.672879  0.336586  1
  Mg  Mg14  1  0.981781  0.657257  0.352683  1
  Mg  Mg15  1  0.253890  0.642385  0.368409  1
  Mg  Mg16  1  0.724317  0.398176  0.361640  1
  Mg  Mg17  1  0.996611  0.382747  0.377408  1
  Mg  Mg18  1  0.452258  0.414555  0.345833  1
  Mg  Mg19  1  0.617842  0.149543  0.360281  1
  Mg  Mg20  1  0.889993  0.134418  0.376180  1
  Mg  Mg21  1  0.346138  0.165373  0.344708  1
  Mg  Mg22  1  0.783688  0.885441  0.374802  1
  Mg  Mg23  1  0.239762  0.916376  0.343563  1
  Mg  Mg24  1  0.511647  0.900987  0.359243  1
  Mg  Mg25  1  0.526038  0.626567  0.384034  1
  Mg  Mg26  1  0.798141  0.610827  0.399910  1
  Mg  Mg27  1  0.070628  0.595269  0.416025  1
  Mg  Mg28  1  0.540565  0.351958  0.409126  1
  Mg  Mg29  1  0.813024  0.336395  0.425187  1
  Mg  Mg30  1  0.268362  0.367741  0.393256  1
  Mg  Mg31  1  0.434314  0.103343  0.407940  1
  Mg  Mg32  1  0.706678  0.087583  0.423858  1
  Mg  Mg33  1  0.162242  0.118831  0.392090  1
  Mg  Mg34  1  0.600528  0.838791  0.422662  1
  Mg  Mg35  1  0.055916  0.870068  0.390800  1
  Mg  Mg36  1  0.328223  0.854510  0.406722  1
  Mg  Mg37  1  0.342912  0.579846  0.431897  1
  Mg  Mg38  1  0.615006  0.564268  0.447771  1
  Mg  Mg39  1  0.887255  0.548824  0.463750  1
  Mg  Mg40  1  0.357390  0.305423  0.457011  1
  Mg  Mg41  1  0.629605  0.289838  0.472942  1
  Mg  Mg42  1  0.085245  0.320877  0.441120  1
  Mg  Mg43  1  0.251220  0.056602  0.455787  1
  Mg  Mg44  1  0.523400  0.041095  0.471702  1
  Mg  Mg45  1  0.978978  0.072092  0.439835  1
  Mg  Mg46  1  0.417218  0.792293  0.470461  1
  Mg  Mg47  1  0.872697  0.823273  0.438507  1
  Mg  Mg48  1  0.144994  0.807825  0.454511  1
  Mg  Mg49  1  0.159589  0.533301  0.479756  1
  Mg  Mg50  1  0.431745  0.517794  0.495669  1
  Mg  Mg51  1  0.703885  0.502320  0.511567  1
  Mg  Mg52  1  0.174089  0.258907  0.504885  1
  Mg  Mg53  1  0.446237  0.243429  0.520783  1
  Mg  Mg54  1  0.901906  0.274363  0.488951  1
  Mg  Mg55  1  0.067883  0.010134  0.503623  1
  Mg  Mg56  1  0.340076  0.994630  0.519552  1
  Mg  Mg57  1  0.795661  0.025561  0.487635  1
  Mg  Mg58  1  0.233849  0.745875  0.518289  1
  Mg  Mg59  1  0.689438  0.776764  0.486382  1
  Mg  Mg60  1  0.961642  0.761343  0.502313  1
  Mg  Mg61  1  0.976210  0.486839  0.527577  1
  Mg  Mg62  1  0.248434  0.471306  0.543562  1
  Mg  Mg63  1  0.520548  0.455808  0.559473  1
  Mg  Mg64  1  0.990821  0.212482  0.552746  1
  Mg  Mg65  1  0.262947  0.196947  0.568648  1
  Mg  Mg66  1  0.718512  0.227910  0.536723  1
  Mg  Mg67  1  0.884570  0.963657  0.551425  1
  Mg  Mg68  1  0.156785  0.948177  0.567422  1
  Mg  Mg69  1  0.612320  0.979098  0.535464  1
  Mg  Mg70  1  0.050515  0.699355  0.566101  1
  Mg  Mg71  1  0.506093  0.730267  0.534222  1
  Mg  Mg72  1  0.778331  0.714844  0.550138  1
  Mg  Mg73  1  0.792764  0.440361  0.575326  1
  Mg  Mg74  1  0.065304  0.424831  0.591446  1
  Mg  Mg75  1  0.337296  0.409156  0.607414  1
  Mg  Mg76  1  0.807532  0.165821  0.600464  1
  Mg  Mg77  1  0.079850  0.150377  0.616483  1
  Mg  Mg78  1  0.535171  0.181440  0.584478  1
  Mg  Mg79  1  0.701400  0.916959  0.599212  1
  Mg  Mg80  1  0.973601  0.901542  0.615152  1
  Mg  Mg81  1  0.429088  0.932420  0.583274  1
  Mg  Mg82  1  0.867321  0.652829  0.613864  1
  Mg  Mg83  1  0.322663  0.683793  0.582051  1
  Mg  Mg84  1  0.595247  0.668060  0.597971  1
  Mg  Mg85  1  0.609318  0.393550  0.623209  1
  Mg  Mg86  1  0.881541  0.378146  0.638761  1
  Mg  Mg87  1  0.153842  0.362840  0.654907  1
  Mg  Mg88  1  0.623947  0.119428  0.647844  1
  Mg  Mg89  1  0.895738  0.104077  0.663606  1
  Mg  Mg90  1  0.352109  0.134458  0.632133  1
  Mg  Mg91  1  0.517933  0.870239  0.646754  1
  Mg  Mg92  1  0.789382  0.855533  0.662448  1
  Mg  Mg93  1  0.245759  0.885960  0.631094  1
  Mg  Mg94  1  0.683531  0.606019  0.661218  1
  Mg  Mg95  1  0.139027  0.637629  0.629827  1
  Mg  Mg96  1  0.411572  0.621673  0.645460  1
  Mg  Mg97  1  0.426182  0.347144  0.670664  1
  Mg  Mg98  1  0.697423  0.332390  0.686082  1
  Mg  Mg99  1  0.969014  0.314004  0.701012  1
  Mg  Mg100  1  0.441719  0.070384  0.694663  1
  Mg  Mg101  1  0.710475  0.057947  0.710133  1
  Mg  Mg102  1  0.169067  0.087879  0.679265  1
  Mg  Mg103  1  0.335118  0.822892  0.693695  1
  Mg  Mg104  1  0.605715  0.808661  0.709203  1
  Mg  Mg105  1  0.061841  0.840411  0.678144  1
  Mg  Mg106  1  0.499707  0.562061  0.707700  1
  Mg  Mg107  1  0.955122  0.590466  0.676806  1
  Mg  Mg108  1  0.227880  0.576836  0.692181  1
