# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17384264
_cell_length_b   31.28338535
_cell_length_c   49.52660450
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.08119926
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg96
_cell_volume   4911.04500196
_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  0.501307  0.961237  0.281353  1
  Mg  Mg2  1  0.337007  0.289942  0.299324  1
  Mg  Mg3  1  0.170074  0.623540  0.317103  1
  Mg  Mg4  1  0.379719  0.204274  0.330625  1
  Mg  Mg5  1  0.710143  0.543416  0.294301  1
  Mg  Mg6  1  0.544892  0.873933  0.311776  1
  Mg  Mg7  1  0.417540  0.128431  0.290381  1
  Mg  Mg8  1  0.253080  0.457602  0.307891  1
  Mg  Mg9  1  0.087979  0.787751  0.325948  1
  Mg  Mg10  1  0.960826  0.042033  0.303800  1
  Mg  Mg11  1  0.796150  0.371549  0.321956  1
  Mg  Mg12  1  0.126782  0.710115  0.286987  1
  Mg  Mg13  1  0.004831  0.954103  0.336090  1
  Mg  Mg14  1  0.839520  0.284764  0.354647  1
  Mg  Mg15  1  0.674318  0.615076  0.372427  1
  Mg  Mg16  1  0.883554  0.196615  0.386033  1
  Mg  Mg17  1  0.214262  0.535191  0.349099  1
  Mg  Mg18  1  0.048948  0.865820  0.367101  1
  Mg  Mg19  1  0.922584  0.118496  0.345454  1
  Mg  Mg20  1  0.757010  0.449729  0.362983  1
  Mg  Mg21  1  0.591501  0.780719  0.381578  1
  Mg  Mg22  1  0.465034  0.033650  0.358933  1
  Mg  Mg23  1  0.299575  0.364637  0.377318  1
  Mg  Mg24  1  0.630431  0.702841  0.341867  1
  Mg  Mg25  1  0.509038  0.945667  0.391171  1
  Mg  Mg26  1  0.343568  0.276630  0.409774  1
  Mg  Mg27  1  0.178234  0.607251  0.428144  1
  Mg  Mg28  1  0.387472  0.188786  0.441858  1
  Mg  Mg29  1  0.718265  0.527188  0.404632  1
  Mg  Mg30  1  0.552841  0.858037  0.423089  1
  Mg  Mg31  1  0.426238  0.111235  0.400608  1
  Mg  Mg32  1  0.260868  0.442007  0.418772  1
  Mg  Mg33  1  0.095475  0.772779  0.437375  1
  Mg  Mg34  1  0.968953  0.025827  0.414549  1
  Mg  Mg35  1  0.803529  0.356712  0.433002  1
  Mg  Mg36  1  0.134276  0.695169  0.396435  1
  Mg  Mg37  1  0.012869  0.937999  0.446879  1
  Mg  Mg38  1  0.847457  0.268837  0.465427  1
  Mg  Mg39  1  0.682124  0.599471  0.483898  1
  Mg  Mg40  1  0.891391  0.180953  0.497589  1
  Mg  Mg41  1  0.222141  0.519432  0.460462  1
  Mg  Mg42  1  0.056737  0.850250  0.478981  1
  Mg  Mg43  1  0.930176  0.103379  0.456219  1
  Mg  Mg44  1  0.764784  0.434168  0.474606  1
  Mg  Mg45  1  0.599389  0.764953  0.493137  1
  Mg  Mg46  1  0.472847  0.018049  0.470320  1
  Mg  Mg47  1  0.307428  0.348902  0.488782  1
  Mg  Mg48  1  0.638192  0.687347  0.451836  1
  Mg  Mg49  1  0.516749  0.930242  0.502660  1
  Mg  Mg50  1  0.351352  0.261043  0.521134  1
  Mg  Mg51  1  0.186019  0.591675  0.539596  1
  Mg  Mg52  1  0.395290  0.173161  0.553197  1
  Mg  Mg53  1  0.726046  0.511614  0.516254  1
  Mg  Mg54  1  0.560622  0.842485  0.534763  1
  Mg  Mg55  1  0.434093  0.095554  0.511922  1
  Mg  Mg56  1  0.268686  0.426356  0.530434  1
  Mg  Mg57  1  0.103290  0.757156  0.548826  1
  Mg  Mg58  1  0.976755  0.010240  0.526130  1
  Mg  Mg59  1  0.811330  0.341090  0.544575  1
  Mg  Mg60  1  0.142086  0.679562  0.507436  1
  Mg  Mg61  1  0.020639  0.922468  0.558510  1
  Mg  Mg62  1  0.855236  0.253279  0.576892  1
  Mg  Mg63  1  0.689870  0.583951  0.595251  1
  Mg  Mg64  1  0.899199  0.165356  0.608592  1
  Mg  Mg65  1  0.229928  0.503836  0.572038  1
  Mg  Mg66  1  0.064488  0.834752  0.590446  1
  Mg  Mg67  1  0.938025  0.087699  0.567685  1
  Mg  Mg68  1  0.772593  0.418533  0.586265  1
  Mg  Mg69  1  0.607243  0.749259  0.604381  1
  Mg  Mg70  1  0.480682  0.002395  0.582006  1
  Mg  Mg71  1  0.315190  0.333367  0.600407  1
  Mg  Mg72  1  0.646005  0.671723  0.563145  1
  Mg  Mg73  1  0.524504  0.914745  0.614416  1
  Mg  Mg74  1  0.359126  0.245508  0.632606  1
  Mg  Mg75  1  0.193941  0.575769  0.650343  1
  Mg  Mg76  1  0.402987  0.157799  0.663142  1
  Mg  Mg77  1  0.733886  0.495902  0.627715  1
  Mg  Mg78  1  0.568531  0.826659  0.645690  1
  Mg  Mg79  1  0.441999  0.079765  0.623457  1
  Mg  Mg80  1  0.276436  0.410841  0.642065  1
  Mg  Mg81  1  0.110747  0.742278  0.659566  1
  Mg  Mg82  1  0.984575  0.994621  0.637803  1
  Mg  Mg83  1  0.819192  0.325367  0.655947  1
  Mg  Mg84  1  0.149851  0.664031  0.618992  1
  Mg  Mg85  1  0.028688  0.906388  0.670138  1
  Mg  Mg86  1  0.863393  0.236996  0.687972  1
  Mg  Mg87  1  0.696322  0.570849  0.705683  1
  Mg  Mg88  1  0.906770  0.150261  0.718043  1
  Mg  Mg89  1  0.237255  0.489096  0.683101  1
  Mg  Mg90  1  0.072467  0.818731  0.701223  1
  Mg  Mg91  1  0.945385  0.073007  0.678951  1
  Mg  Mg92  1  0.780347  0.403007  0.697146  1
  Mg  Mg93  1  0.616065  0.731749  0.714296  1
  Mg  Mg94  1  0.488060  0.987667  0.692704  1
  Mg  Mg95  1  0.323286  0.317194  0.710732  1
  Mg  Mg96  1  0.653725  0.656288  0.674223  1
