# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17978922
_cell_length_b   31.36066035
_cell_length_c   49.64329205
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.91753970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg96
_cell_volume   4944.02680942
_cell_formula_units_Z   96
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  0.463354  0.962148  0.281441  1
  Mg  Mg2  1  0.628092  0.291867  0.299685  1
  Mg  Mg3  1  0.794158  0.623502  0.316388  1
  Mg  Mg4  1  0.584794  0.204823  0.329959  1
  Mg  Mg5  1  0.253899  0.543032  0.294271  1
  Mg  Mg6  1  0.419635  0.874429  0.311400  1
  Mg  Mg7  1  0.546272  0.127452  0.290556  1
  Mg  Mg8  1  0.711263  0.457847  0.307609  1
  Mg  Mg9  1  0.876767  0.788725  0.325451  1
  Mg  Mg10  1  1.003566  0.042314  0.303179  1
  Mg  Mg11  1  0.168364  0.372210  0.321492  1
  Mg  Mg12  1  0.837827  0.710818  0.286761  1
  Mg  Mg13  1  0.959452  0.954203  0.335916  1
  Mg  Mg14  1  0.124657  0.284758  0.354416  1
  Mg  Mg15  1  0.290118  0.615451  0.372352  1
  Mg  Mg16  1  0.080878  0.197000  0.386106  1
  Mg  Mg17  1  0.750087  0.535416  0.349136  1
  Mg  Mg18  1  0.915493  0.866177  0.367215  1
  Mg  Mg19  1  0.042128  0.119373  0.345223  1
  Mg  Mg20  1  0.207384  0.450081  0.363083  1
  Mg  Mg21  1  0.372908  0.781033  0.381567  1
  Mg  Mg22  1  0.499481  0.034178  0.358920  1
  Mg  Mg23  1  0.664729  0.364869  0.377335  1
  Mg  Mg24  1  0.334063  0.703321  0.340970  1
  Mg  Mg25  1  0.455451  0.946159  0.391352  1
  Mg  Mg26  1  0.620832  0.277000  0.409950  1
  Mg  Mg27  1  0.786236  0.607700  0.428266  1
  Mg  Mg28  1  0.576975  0.189194  0.442041  1
  Mg  Mg29  1  0.246202  0.527636  0.404796  1
  Mg  Mg30  1  0.411607  0.858424  0.423220  1
  Mg  Mg31  1  0.538209  0.111624  0.400752  1
  Mg  Mg32  1  0.703533  0.442352  0.418957  1
  Mg  Mg33  1  0.868971  0.773172  0.437513  1
  Mg  Mg34  1  0.995513  0.026270  0.414793  1
  Mg  Mg35  1  0.160872  0.357092  0.433256  1
  Mg  Mg36  1  0.830161  0.695546  0.396318  1
  Mg  Mg37  1  0.951596  0.938441  0.447101  1
  Mg  Mg38  1  0.116986  0.269256  0.465679  1
  Mg  Mg39  1  0.282357  0.599943  0.484098  1
  Mg  Mg40  1  0.073084  0.181414  0.497855  1
  Mg  Mg41  1  0.742334  0.519883  0.460596  1
  Mg  Mg42  1  0.907733  0.850693  0.479134  1
  Mg  Mg43  1  0.034287  0.103814  0.456463  1
  Mg  Mg44  1  0.199671  0.434602  0.474844  1
  Mg  Mg45  1  0.365079  0.765399  0.493342  1
  Mg  Mg46  1  0.491618  0.018494  0.470667  1
  Mg  Mg47  1  0.657010  0.349327  0.489131  1
  Mg  Mg48  1  0.326270  0.687782  0.451968  1
  Mg  Mg49  1  0.447725  0.930709  0.502941  1
  Mg  Mg50  1  0.613117  0.261501  0.521466  1
  Mg  Mg51  1  0.778492  0.592193  0.539882  1
  Mg  Mg52  1  0.569202  0.173654  0.553603  1
  Mg  Mg53  1  0.238468  0.512124  0.516438  1
  Mg  Mg54  1  0.403864  0.842969  0.534990  1
  Mg  Mg55  1  0.530390  0.096038  0.512250  1
  Mg  Mg56  1  0.695810  0.426855  0.530729  1
  Mg  Mg57  1  0.861196  0.757649  0.549088  1
  Mg  Mg58  1  0.987728  0.010727  0.526544  1
  Mg  Mg59  1  0.153147  0.341574  0.544971  1
  Mg  Mg60  1  0.822388  0.680026  0.507703  1
  Mg  Mg61  1  0.943845  0.922964  0.558854  1
  Mg  Mg62  1  0.109247  0.253758  0.577298  1
  Mg  Mg63  1  0.274668  0.584492  0.595612  1
  Mg  Mg64  1  0.065323  0.165907  0.609254  1
  Mg  Mg65  1  0.734620  0.504384  0.572316  1
  Mg  Mg66  1  0.899998  0.835253  0.590801  1
  Mg  Mg67  1  0.026490  0.088245  0.568098  1
  Mg  Mg68  1  0.191965  0.419136  0.586615  1
  Mg  Mg69  1  0.357287  0.749861  0.604733  1
  Mg  Mg70  1  0.483831  0.002946  0.582427  1
  Mg  Mg71  1  0.649295  0.333853  0.600766  1
  Mg  Mg72  1  0.318504  0.672260  0.563502  1
  Mg  Mg73  1  0.439954  0.915205  0.614877  1
  Mg  Mg74  1  0.605389  0.246054  0.633207  1
  Mg  Mg75  1  0.770890  0.576827  0.651153  1
  Mg  Mg76  1  0.561473  0.158230  0.664591  1
  Mg  Mg77  1  0.230794  0.496669  0.628241  1
  Mg  Mg78  1  0.396035  0.827332  0.646479  1
  Mg  Mg79  1  0.522559  0.080387  0.624037  1
  Mg  Mg80  1  0.688135  0.411450  0.642482  1
  Mg  Mg81  1  0.853451  0.742260  0.660199  1
  Mg  Mg82  1  0.979943  0.995185  0.638242  1
  Mg  Mg83  1  0.145430  0.326110  0.656423  1
  Mg  Mg84  1  0.814631  0.664513  0.619440  1
  Mg  Mg85  1  0.935924  0.907172  0.670910  1
  Mg  Mg86  1  0.101371  0.238043  0.689178  1
  Mg  Mg87  1  0.267460  0.569737  0.705864  1
  Mg  Mg88  1  0.057704  0.150722  0.718801  1
  Mg  Mg89  1  0.727173  0.489359  0.684080  1
  Mg  Mg90  1  0.892062  0.819323  0.701800  1
  Mg  Mg91  1  0.018799  0.072880  0.680068  1
  Mg  Mg92  1  0.184268  0.403707  0.697949  1
  Mg  Mg93  1  0.349568  0.734647  0.714742  1
  Mg  Mg94  1  0.476130  0.987580  0.693245  1
  Mg  Mg95  1  0.641633  0.318522  0.711289  1
  Mg  Mg96  1  0.310796  0.656845  0.675609  1
