# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40645543
_cell_length_b   10.82771781
_cell_length_c   47.58662436
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.17611729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg84
_cell_volume   4324.81096237
_cell_formula_units_Z   84
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  0.306769  0.624122  0.288584  1
  Mg  Mg2  1  0.652881  0.598700  0.309094  1
  Mg  Mg3  1  0.010064  0.568363  0.327828  1
  Mg  Mg4  1  0.455158  0.816197  0.330307  1
  Mg  Mg5  1  0.748407  0.869744  0.290339  1
  Mg  Mg6  1  0.099673  0.841859  0.309593  1
  Mg  Mg7  1  0.330410  0.080511  0.318300  1
  Mg  Mg8  1  0.687326  0.054094  0.338596  1
  Mg  Mg9  1  0.979280  0.107601  0.298329  1
  Mg  Mg10  1  0.562010  0.321620  0.326879  1
  Mg  Mg11  1  0.919146  0.293620  0.346738  1
  Mg  Mg12  1  0.211320  0.348282  0.306463  1
  Mg  Mg13  1  0.363646  0.540072  0.349125  1
  Mg  Mg14  1  0.719256  0.513124  0.369744  1
  Mg  Mg15  1  0.073726  0.485120  0.390018  1
  Mg  Mg16  1  0.520234  0.732826  0.391989  1
  Mg  Mg17  1  0.810889  0.788635  0.350943  1
  Mg  Mg18  1  0.164931  0.760057  0.370910  1
  Mg  Mg19  1  0.396165  0.999315  0.379826  1
  Mg  Mg20  1  0.751281  0.971645  0.400699  1
  Mg  Mg21  1  0.041405  0.026202  0.358927  1
  Mg  Mg22  1  0.627962  0.237684  0.388315  1
  Mg  Mg23  1  0.982836  0.209789  0.409086  1
  Mg  Mg24  1  0.272627  0.264608  0.367479  1
  Mg  Mg25  1  0.429245  0.456803  0.411236  1
  Mg  Mg26  1  0.784497  0.429180  0.432213  1
  Mg  Mg27  1  0.139352  0.401705  0.452995  1
  Mg  Mg28  1  0.585694  0.649259  0.454877  1
  Mg  Mg29  1  0.875630  0.704796  0.413094  1
  Mg  Mg30  1  0.230526  0.676999  0.433803  1
  Mg  Mg31  1  0.461931  0.915555  0.442598  1
  Mg  Mg32  1  0.817074  0.887918  0.463580  1
  Mg  Mg33  1  0.106692  0.943239  0.421557  1
  Mg  Mg34  1  0.693420  0.154229  0.451285  1
  Mg  Mg35  1  0.048533  0.126487  0.472143  1
  Mg  Mg36  1  0.338270  0.181928  0.430301  1
  Mg  Mg37  1  0.494758  0.373943  0.474154  1
  Mg  Mg38  1  0.849928  0.346257  0.495125  1
  Mg  Mg39  1  0.204944  0.318694  0.515976  1
  Mg  Mg40  1  0.651122  0.566373  0.517829  1
  Mg  Mg41  1  0.940909  0.621567  0.475917  1
  Mg  Mg42  1  0.295907  0.593985  0.496779  1
  Mg  Mg43  1  0.527448  0.832537  0.505544  1
  Mg  Mg44  1  0.882596  0.804922  0.526503  1
  Mg  Mg45  1  0.172272  0.860181  0.484513  1
  Mg  Mg46  1  0.758934  0.071146  0.514213  1
  Mg  Mg47  1  0.114000  0.043579  0.535099  1
  Mg  Mg48  1  0.403804  0.098723  0.493253  1
  Mg  Mg49  1  0.560278  0.290913  0.537110  1
  Mg  Mg50  1  0.915427  0.263277  0.558095  1
  Mg  Mg51  1  0.270507  0.235785  0.578937  1
  Mg  Mg52  1  0.716473  0.483294  0.580768  1
  Mg  Mg53  1  0.006335  0.538514  0.538834  1
  Mg  Mg54  1  0.361390  0.510923  0.559723  1
  Mg  Mg55  1  0.592950  0.749608  0.568517  1
  Mg  Mg56  1  0.948163  0.721525  0.589376  1
  Mg  Mg57  1  0.237791  0.777177  0.547453  1
  Mg  Mg58  1  0.824324  0.988185  0.577122  1
  Mg  Mg59  1  0.179320  0.960358  0.597891  1
  Mg  Mg60  1  0.469354  0.015808  0.556228  1
  Mg  Mg61  1  0.626046  0.207728  0.600170  1
  Mg  Mg62  1  0.980825  0.179746  0.621061  1
  Mg  Mg63  1  0.336043  0.151938  0.641324  1
  Mg  Mg64  1  0.781557  0.400259  0.643361  1
  Mg  Mg65  1  0.071969  0.454996  0.601845  1
  Mg  Mg66  1  0.426846  0.427912  0.622675  1
  Mg  Mg67  1  0.658467  0.666419  0.631389  1
  Mg  Mg68  1  0.012977  0.638087  0.651875  1
  Mg  Mg69  1  0.303511  0.693528  0.610352  1
  Mg  Mg70  1  0.889887  0.904550  0.639607  1
  Mg  Mg71  1  0.243953  0.876714  0.659911  1
  Mg  Mg72  1  0.534937  0.932480  0.619177  1
  Mg  Mg73  1  0.691296  0.124489  0.662506  1
  Mg  Mg74  1  0.047013  0.096605  0.682698  1
  Mg  Mg75  1  0.398638  0.066524  0.702062  1
  Mg  Mg76  1  0.844826  0.320183  0.703959  1
  Mg  Mg77  1  0.135725  0.371669  0.664104  1
  Mg  Mg78  1  0.490803  0.344454  0.683932  1
  Mg  Mg79  1  0.722890  0.583310  0.692570  1
  Mg  Mg80  1  0.073999  0.556866  0.712650  1
  Mg  Mg81  1  0.366756  0.612058  0.672554  1
  Mg  Mg82  1  0.955622  0.820128  0.700371  1
  Mg  Mg83  1  0.300766  0.795387  0.720660  1
  Mg  Mg84  1  0.598376  0.849097  0.680958  1
