# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.82728596
_cell_length_b   12.82352293
_cell_length_c   46.39698168
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg144
_cell_volume   7261.6317489
_cell_formula_units_Z   144
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  0.885474  0.219559  0.295058  1
  Mg  Mg2  1  0.229347  0.886973  0.292290  1
  Mg  Mg3  1  0.138594  0.145501  0.327477  1
  Mg  Mg4  1  0.528828  0.179489  0.310467  1
  Mg  Mg5  1  0.845499  0.862823  0.310472  1
  Mg  Mg6  1  0.179232  0.513241  0.311568  1
  Mg  Mg7  1  0.552918  0.563405  0.292289  1
  Mg  Mg8  1  0.469933  0.803951  0.325773  1
  Mg  Mg9  1  0.811519  0.472559  0.327467  1
  Mg  Mg10  1  0.616613  0.950564  0.337170  1
  Mg  Mg11  1  0.074760  0.741373  0.285895  1
  Mg  Mg12  1  0.005644  0.989370  0.319329  1
  Mg  Mg13  1  0.370848  0.041628  0.303569  1
  Mg  Mg14  1  0.707576  0.704889  0.303582  1
  Mg  Mg15  1  0.035265  0.369281  0.299753  1
  Mg  Mg16  1  0.407330  0.408805  0.285902  1
  Mg  Mg17  1  0.322635  0.656645  0.317091  1
  Mg  Mg18  1  0.655341  0.339671  0.319335  1
  Mg  Mg19  1  0.770531  0.104506  0.343363  1
  Mg  Mg20  1  0.107216  0.771060  0.348509  1
  Mg  Mg21  1  0.028020  0.025533  0.383354  1
  Mg  Mg22  1  0.398810  0.068849  0.366675  1
  Mg  Mg23  1  0.734951  0.732750  0.366685  1
  Mg  Mg24  1  0.066379  0.400285  0.363158  1
  Mg  Mg25  1  0.437095  0.441203  0.348517  1
  Mg  Mg26  1  0.358140  0.692022  0.381456  1
  Mg  Mg27  1  0.691619  0.361912  0.383357  1
  Mg  Mg28  1  0.505147  0.839015  0.390921  1
  Mg  Mg29  1  0.952695  0.630744  0.334958  1
  Mg  Mg30  1  0.878850  0.882588  0.373981  1
  Mg  Mg31  1  0.253013  0.922107  0.355652  1
  Mg  Mg32  1  0.588183  0.586974  0.355650  1
  Mg  Mg33  1  0.918085  0.252039  0.357398  1
  Mg  Mg34  1  0.296795  0.286667  0.334958  1
  Mg  Mg35  1  0.211077  0.545007  0.374511  1
  Mg  Mg36  1  0.548650  0.212754  0.373977  1
  Mg  Mg37  1  0.652481  0.986346  0.401133  1
  Mg  Mg38  1  0.985888  0.656365  0.401082  1
  Mg  Mg39  1  0.909094  0.911091  0.439054  1
  Mg  Mg40  1  0.282833  0.950866  0.420678  1
  Mg  Mg41  1  0.617044  0.616672  0.420680  1
  Mg  Mg42  1  0.947406  0.281251  0.421529  1
  Mg  Mg43  1  0.322494  0.319776  0.401081  1
  Mg  Mg44  1  0.240848  0.574669  0.439284  1
  Mg  Mg45  1  0.577277  0.242892  0.439050  1
  Mg  Mg46  1  0.387799  0.721581  0.446995  1
  Mg  Mg47  1  0.842477  0.504913  0.392011  1
  Mg  Mg48  1  0.763108  0.763881  0.430927  1
  Mg  Mg49  1  0.136567  0.801699  0.412526  1
  Mg  Mg50  1  0.467844  0.470433  0.412534  1
  Mg  Mg51  1  0.800334  0.134177  0.409604  1
  Mg  Mg52  1  0.171049  0.176359  0.392020  1
  Mg  Mg53  1  0.094891  0.428712  0.428742  1
  Mg  Mg54  1  0.430035  0.096937  0.430918  1
  Mg  Mg55  1  0.534600  0.868390  0.456934  1
  Mg  Mg56  1  0.870658  0.536066  0.457334  1
  Mg  Mg57  1  0.791603  0.793052  0.495775  1
  Mg  Mg58  1  0.165743  0.830818  0.477215  1
  Mg  Mg59  1  0.497068  0.499507  0.477222  1
  Mg  Mg60  1  0.829745  0.163494  0.475668  1
  Mg  Mg61  1  0.202289  0.204450  0.457341  1
  Mg  Mg62  1  0.124024  0.457741  0.494154  1
  Mg  Mg63  1  0.459314  0.125323  0.495766  1
  Mg  Mg64  1  0.270126  0.603846  0.504262  1
  Mg  Mg65  1  0.721658  0.391066  0.448637  1
  Mg  Mg66  1  0.645978  0.645153  0.486064  1
  Mg  Mg67  1  0.016075  0.685348  0.466987  1
  Mg  Mg68  1  0.351586  0.349855  0.466986  1
  Mg  Mg69  1  0.682022  0.015781  0.466221  1
  Mg  Mg70  1  0.057276  0.055464  0.448636  1
  Mg  Mg71  1  0.976961  0.310712  0.486077  1
  Mg  Mg72  1  0.311398  0.979714  0.486062  1
  Mg  Mg73  1  0.417139  0.750832  0.512109  1
  Mg  Mg74  1  0.751683  0.419310  0.513880  1
  Mg  Mg75  1  0.675672  0.674020  0.551556  1
  Mg  Mg76  1  0.045652  0.714343  0.532752  1
  Mg  Mg77  1  0.380673  0.379339  0.532752  1
  Mg  Mg78  1  0.711508  0.045167  0.530987  1
  Mg  Mg79  1  0.085609  0.085398  0.513882  1
  Mg  Mg80  1  0.006195  0.339832  0.550953  1
  Mg  Mg81  1  0.340369  0.009303  0.551553  1
  Mg  Mg82  1  0.152985  0.486614  0.559427  1
  Mg  Mg83  1  0.605404  0.272677  0.504197  1
  Mg  Mg84  1  0.526384  0.528958  0.542180  1
  Mg  Mg85  1  0.899608  0.565647  0.522420  1
  Mg  Mg86  1  0.231977  0.233293  0.522425  1
  Mg  Mg87  1  0.563924  0.897609  0.522578  1
  Mg  Mg88  1  0.938976  0.939121  0.504199  1
  Mg  Mg89  1  0.858885  0.192548  0.541628  1
  Mg  Mg90  1  0.195288  0.860040  0.542174  1
  Mg  Mg91  1  0.298932  0.632557  0.569243  1
  Mg  Mg92  1  0.633716  0.302562  0.569295  1
  Mg  Mg93  1  0.555752  0.558972  0.607392  1
  Mg  Mg94  1  0.928658  0.595313  0.587220  1
  Mg  Mg95  1  0.261737  0.262254  0.587223  1
  Mg  Mg96  1  0.592387  0.925982  0.588209  1
  Mg  Mg97  1  0.968953  0.967344  0.569294  1
  Mg  Mg98  1  0.888226  0.221779  0.607778  1
  Mg  Mg99  1  0.225417  0.889288  0.607387  1
  Mg  Mg100  1  0.035935  0.369474  0.616015  1
  Mg  Mg101  1  0.489465  0.153616  0.560849  1
  Mg  Mg102  1  0.410249  0.408966  0.598647  1
  Mg  Mg103  1  0.781300  0.447758  0.579096  1
  Mg  Mg104  1  0.114170  0.114904  0.579101  1
  Mg  Mg105  1  0.445898  0.779485  0.576819  1
  Mg  Mg106  1  0.819990  0.823108  0.560859  1
  Mg  Mg107  1  0.740573  0.074137  0.595478  1
  Mg  Mg108  1  0.075367  0.743829  0.598645  1
  Mg  Mg109  1  0.182582  0.516122  0.624491  1
  Mg  Mg110  1  0.519409  0.182703  0.626085  1
  Mg  Mg111  1  0.440601  0.439150  0.664674  1
  Mg  Mg112  1  0.811635  0.475090  0.644136  1
  Mg  Mg113  1  0.141586  0.145144  0.644145  1
  Mg  Mg114  1  0.475823  0.809332  0.640780  1
  Mg  Mg115  1  0.849173  0.852959  0.626095  1
  Mg  Mg116  1  0.771583  0.105017  0.659095  1
  Mg  Mg117  1  0.105690  0.774046  0.664669  1
  Mg  Mg118  1  0.917440  0.250936  0.674212  1
  Mg  Mg119  1  0.368538  0.040136  0.617394  1
  Mg  Mg120  1  0.290763  0.291973  0.651612  1
  Mg  Mg121  1  0.662003  0.333147  0.634187  1
  Mg  Mg122  1  0.999657  0.995508  0.634185  1
  Mg  Mg123  1  0.328283  0.661776  0.634011  1
  Mg  Mg124  1  0.706591  0.702109  0.617400  1
  Mg  Mg125  1  0.622021  0.955513  0.653542  1
  Mg  Mg126  1  0.958471  0.624247  0.651608  1
  Mg  Mg127  1  0.066935  0.400389  0.680317  1
  Mg  Mg128  1  0.400856  0.074870  0.682343  1
  Mg  Mg129  1  0.326804  0.318620  0.714300  1
  Mg  Mg130  1  0.685859  0.367010  0.697532  1
  Mg  Mg131  1  0.033597  0.019326  0.697528  1
  Mg  Mg132  1  0.354915  0.688294  0.697293  1
  Mg  Mg133  1  0.741443  0.734322  0.682353  1
  Mg  Mg134  1  0.651628  0.984953  0.717174  1
  Mg  Mg135  1  0.985228  0.660138  0.714297  1
  Mg  Mg136  1  0.802333  0.135713  0.721748  1
  Mg  Mg137  1  0.261588  0.920936  0.671705  1
  Mg  Mg138  1  0.169975  0.176111  0.707383  1
  Mg  Mg139  1  0.557319  0.208239  0.689775  1
  Mg  Mg140  1  0.874881  0.890729  0.689785  1
  Mg  Mg141  1  0.209513  0.542921  0.687920  1
  Mg  Mg142  1  0.587503  0.595056  0.671705  1
  Mg  Mg143  1  0.504745  0.838150  0.703679  1
  Mg  Mg144  1  0.842685  0.503339  0.707375  1
