# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05433842
_cell_length_b   12.82349932
_cell_length_c   45.31063237
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg108
_cell_volume   5373.84136536
_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  0.474813  0.143186  0.293086  1
  Mg  Mg2  1  0.962277  0.144199  0.293363  1
  Mg  Mg3  1  0.592887  0.414332  0.323644  1
  Mg  Mg4  1  0.043319  0.793939  0.307737  1
  Mg  Mg5  1  0.402870  0.513098  0.277256  1
  Mg  Mg6  1  0.532752  0.771732  0.304969  1
  Mg  Mg7  1  0.793573  0.295202  0.307295  1
  Mg  Mg8  1  0.285791  0.276967  0.305774  1
  Mg  Mg9  1  0.207762  0.643022  0.292505  1
  Mg  Mg10  1  0.358773  0.911302  0.324480  1
  Mg  Mg11  1  0.728338  0.642539  0.292253  1
  Mg  Mg12  1  0.845897  0.911579  0.324571  1
  Mg  Mg13  1  0.172315  0.051554  0.337720  1
  Mg  Mg14  1  0.676984  0.060558  0.336935  1
  Mg  Mg15  1  0.310326  0.326309  0.371433  1
  Mg  Mg16  1  0.743236  0.687839  0.357322  1
  Mg  Mg17  1  0.114009  0.413246  0.323109  1
  Mg  Mg18  1  0.237826  0.688510  0.357599  1
  Mg  Mg19  1  0.491480  0.189063  0.357744  1
  Mg  Mg20  1  0.991120  0.189552  0.358040  1
  Mg  Mg21  1  0.924084  0.554191  0.336423  1
  Mg  Mg22  1  0.060100  0.827713  0.373299  1
  Mg  Mg23  1  0.425251  0.558841  0.341609  1
  Mg  Mg24  1  0.560867  0.828265  0.371115  1
  Mg  Mg25  1  0.877058  0.961440  0.389922  1
  Mg  Mg26  1  0.377501  0.961439  0.389821  1
  Mg  Mg27  1  0.013521  0.235467  0.424224  1
  Mg  Mg28  1  0.447520  0.602949  0.407476  1
  Mg  Mg29  1  0.810962  0.329601  0.372835  1
  Mg  Mg30  1  0.946050  0.597523  0.404802  1
  Mg  Mg31  1  0.196433  0.100061  0.405437  1
  Mg  Mg32  1  0.696658  0.099603  0.405054  1
  Mg  Mg33  1  0.625142  0.461480  0.390105  1
  Mg  Mg34  1  0.766622  0.735036  0.423606  1
  Mg  Mg35  1  0.129228  0.460550  0.389447  1
  Mg  Mg36  1  0.262179  0.735861  0.423935  1
  Mg  Mg37  1  0.582660  0.871344  0.439179  1
  Mg  Mg38  1  0.083391  0.873922  0.440176  1
  Mg  Mg39  1  0.719503  0.144611  0.473050  1
  Mg  Mg40  1  0.151704  0.507118  0.456249  1
  Mg  Mg41  1  0.514905  0.234651  0.423806  1
  Mg  Mg42  1  0.649614  0.508563  0.457216  1
  Mg  Mg43  1  0.899865  0.007432  0.456704  1
  Mg  Mg44  1  0.401134  0.007545  0.456600  1
  Mg  Mg45  1  0.333310  0.371600  0.439074  1
  Mg  Mg46  1  0.468793  0.646035  0.474370  1
  Mg  Mg47  1  0.832563  0.373256  0.440011  1
  Mg  Mg48  1  0.969790  0.644205  0.472757  1
  Mg  Mg49  1  0.286640  0.781936  0.490658  1
  Mg  Mg50  1  0.788115  0.780546  0.490194  1
  Mg  Mg51  1  0.423983  0.053757  0.523296  1
  Mg  Mg52  1  0.854609  0.417892  0.507161  1
  Mg  Mg53  1  0.218813  0.144780  0.473283  1
  Mg  Mg54  1  0.356272  0.416308  0.506610  1
  Mg  Mg55  1  0.605549  0.916654  0.506817  1
  Mg  Mg56  1  0.105260  0.917753  0.507373  1
  Mg  Mg57  1  0.037172  0.281790  0.490842  1
  Mg  Mg58  1  0.174351  0.552894  0.522773  1
  Mg  Mg59  1  0.537684  0.280495  0.490133  1
  Mg  Mg60  1  0.673411  0.554978  0.524388  1
  Mg  Mg61  1  0.993034  0.689299  0.540563  1
  Mg  Mg62  1  0.490762  0.690640  0.541507  1
  Mg  Mg63  1  0.127232  0.961914  0.574699  1
  Mg  Mg64  1  0.560208  0.325773  0.556460  1
  Mg  Mg65  1  0.923391  0.053558  0.523386  1
  Mg  Mg66  1  0.060928  0.328661  0.557714  1
  Mg  Mg67  1  0.310317  0.828101  0.557519  1
  Mg  Mg68  1  0.810823  0.826372  0.556763  1
  Mg  Mg69  1  0.742561  0.189612  0.540825  1
  Mg  Mg70  1  0.875467  0.462217  0.574348  1
  Mg  Mg71  1  0.240888  0.189628  0.541023  1
  Mg  Mg72  1  0.380256  0.461306  0.573957  1
  Mg  Mg73  1  0.697740  0.602805  0.591719  1
  Mg  Mg74  1  0.196397  0.597517  0.589031  1
  Mg  Mg75  1  0.833548  0.872164  0.623352  1
  Mg  Mg76  1  0.264054  0.235050  0.608914  1
  Mg  Mg77  1  0.628394  0.961319  0.574352  1
  Mg  Mg78  1  0.765238  0.234897  0.608757  1
  Mg  Mg79  1  0.016369  0.734098  0.608397  1
  Mg  Mg80  1  0.512154  0.734988  0.609009  1
  Mg  Mg81  1  0.447036  0.099710  0.589834  1
  Mg  Mg82  1  0.584212  0.373240  0.622440  1
  Mg  Mg83  1  0.946930  0.099903  0.589930  1
  Mg  Mg84  1  0.083983  0.374176  0.624838  1
  Mg  Mg85  1  0.402900  0.505203  0.641149  1
  Mg  Mg86  1  0.897282  0.505980  0.641466  1
  Mg  Mg87  1  0.528542  0.781107  0.675735  1
  Mg  Mg88  1  0.968926  0.143807  0.656147  1
  Mg  Mg89  1  0.333970  0.874916  0.624477  1
  Mg  Mg90  1  0.471900  0.149660  0.655889  1
  Mg  Mg91  1  0.721442  0.649590  0.659437  1
  Mg  Mg92  1  0.219656  0.643391  0.654441  1
  Mg  Mg93  1  0.150158  0.007022  0.642000  1
  Mg  Mg94  1  0.282312  0.279056  0.676966  1
  Mg  Mg95  1  0.650728  0.006685  0.641732  1
  Mg  Mg96  1  0.790733  0.278747  0.676852  1
  Mg  Mg97  1  0.111263  0.428876  0.690332  1
  Mg  Mg98  1  0.604077  0.413442  0.686947  1
  Mg  Mg99  1  0.242509  0.690547  0.718736  1
  Mg  Mg100  1  0.673799  0.048517  0.707407  1
  Mg  Mg101  1  0.046576  0.780003  0.675270  1
  Mg  Mg102  1  0.169677  0.049378  0.707666  1
  Mg  Mg103  1  0.429188  0.549367  0.706503  1
  Mg  Mg104  1  0.914467  0.549618  0.706808  1
  Mg  Mg105  1  0.856566  0.917462  0.688798  1
  Mg  Mg106  1  0.994068  0.194504  0.720558  1
  Mg  Mg107  1  0.360945  0.928561  0.689907  1
  Mg  Mg108  1  0.493122  0.190675  0.720920  1
