# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.45690479
_cell_length_b   10.86979195
_cell_length_c   47.36982738
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.25919710
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg108
_cell_volume   5775.74080958
_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  0.896029  0.716717  0.289161  1
  Mg  Mg2  1  0.167099  0.704042  0.303450  1
  Mg  Mg3  1  0.439776  0.688440  0.317724  1
  Mg  Mg4  1  0.911200  0.443688  0.311426  1
  Mg  Mg5  1  0.184869  0.429663  0.326149  1
  Mg  Mg6  1  0.638160  0.459122  0.296926  1
  Mg  Mg7  1  0.802514  0.195261  0.310239  1
  Mg  Mg8  1  0.077965  0.179038  0.325492  1
  Mg  Mg9  1  0.529137  0.212210  0.296047  1
  Mg  Mg10  1  0.968889  0.931243  0.324790  1
  Mg  Mg11  1  0.424209  0.964816  0.295706  1
  Mg  Mg12  1  0.695282  0.945667  0.308873  1
  Mg  Mg13  1  0.710641  0.672488  0.334070  1
  Mg  Mg14  1  0.985031  0.655845  0.350472  1
  Mg  Mg15  1  0.256563  0.641736  0.365993  1
  Mg  Mg16  1  0.727892  0.397560  0.359044  1
  Mg  Mg17  1  1.000994  0.381767  0.374429  1
  Mg  Mg18  1  0.454804  0.415470  0.343134  1
  Mg  Mg19  1  0.620474  0.148942  0.357869  1
  Mg  Mg20  1  0.893376  0.133572  0.373437  1
  Mg  Mg21  1  0.347416  0.165917  0.342556  1
  Mg  Mg22  1  0.785869  0.884469  0.372352  1
  Mg  Mg23  1  0.240592  0.915359  0.341145  1
  Mg  Mg24  1  0.513155  0.900616  0.357220  1
  Mg  Mg25  1  0.528592  0.626229  0.381631  1
  Mg  Mg26  1  0.801118  0.609982  0.397569  1
  Mg  Mg27  1  0.073292  0.594673  0.413704  1
  Mg  Mg28  1  0.544053  0.351751  0.406591  1
  Mg  Mg29  1  0.816915  0.335863  0.422442  1
  Mg  Mg30  1  0.271460  0.368024  0.390641  1
  Mg  Mg31  1  0.436957  0.103142  0.405751  1
  Mg  Mg32  1  0.709735  0.087044  0.421316  1
  Mg  Mg33  1  0.164638  0.118164  0.389680  1
  Mg  Mg34  1  0.602683  0.838165  0.420438  1
  Mg  Mg35  1  0.057624  0.869196  0.388572  1
  Mg  Mg36  1  0.329987  0.853972  0.404645  1
  Mg  Mg37  1  0.345640  0.579578  0.429499  1
  Mg  Mg38  1  0.617843  0.563852  0.445308  1
  Mg  Mg39  1  0.889907  0.548330  0.461304  1
  Mg  Mg40  1  0.360710  0.305485  0.454379  1
  Mg  Mg41  1  0.633217  0.289621  0.470194  1
  Mg  Mg42  1  0.088663  0.320647  0.438430  1
  Mg  Mg43  1  0.253743  0.056378  0.453395  1
  Mg  Mg44  1  0.526185  0.040801  0.469209  1
  Mg  Mg45  1  0.981638  0.071607  0.437355  1
  Mg  Mg46  1  0.419181  0.791851  0.468220  1
  Mg  Mg47  1  0.874578  0.822568  0.436236  1
  Mg  Mg48  1  0.146820  0.807313  0.452283  1
  Mg  Mg49  1  0.162281  0.533009  0.477267  1
  Mg  Mg50  1  0.434526  0.517567  0.493129  1
  Mg  Mg51  1  0.706529  0.501918  0.509010  1
  Mg  Mg52  1  0.177536  0.258872  0.502165  1
  Mg  Mg53  1  0.449776  0.243381  0.517981  1
  Mg  Mg54  1  0.905411  0.274145  0.486208  1
  Mg  Mg55  1  0.070592  0.009852  0.501094  1
  Mg  Mg56  1  0.342788  0.994420  0.517024  1
  Mg  Mg57  1  0.798390  0.025142  0.485056  1
  Mg  Mg58  1  0.235803  0.745463  0.515985  1
  Mg  Mg59  1  0.691353  0.776169  0.484064  1
  Mg  Mg60  1  0.963619  0.760763  0.499955  1
  Mg  Mg61  1  0.978975  0.486527  0.524976  1
  Mg  Mg62  1  0.251304  0.471156  0.540935  1
  Mg  Mg63  1  0.523067  0.455575  0.556862  1
  Mg  Mg64  1  0.994420  0.212412  0.549951  1
  Mg  Mg65  1  0.266568  0.197058  0.565830  1
  Mg  Mg66  1  0.722015  0.227689  0.533884  1
  Mg  Mg67  1  0.887455  0.963283  0.548716  1
  Mg  Mg68  1  0.159589  0.948164  0.564840  1
  Mg  Mg69  1  0.614976  0.978742  0.532813  1
  Mg  Mg70  1  0.052574  0.698993  0.563693  1
  Mg  Mg71  1  0.507923  0.729790  0.531892  1
  Mg  Mg72  1  0.780395  0.714184  0.547655  1
  Mg  Mg73  1  0.795345  0.440042  0.572617  1
  Mg  Mg74  1  0.068285  0.424878  0.588663  1
  Mg  Mg75  1  0.339821  0.409189  0.604827  1
  Mg  Mg76  1  0.811151  0.165732  0.597490  1
  Mg  Mg77  1  0.083826  0.150872  0.613744  1
  Mg  Mg78  1  0.538490  0.181409  0.581563  1
  Mg  Mg79  1  0.704144  0.916613  0.596266  1
  Mg  Mg80  1  0.976761  0.901650  0.612418  1
  Mg  Mg81  1  0.431479  0.932260  0.580689  1
  Mg  Mg82  1  0.869695  0.652129  0.611303  1
  Mg  Mg83  1  0.324169  0.683620  0.579767  1
  Mg  Mg84  1  0.597134  0.667570  0.595431  1
  Mg  Mg85  1  0.611698  0.393215  0.620605  1
  Mg  Mg86  1  0.884488  0.378380  0.635887  1
  Mg  Mg87  1  0.156904  0.363378  0.652495  1
  Mg  Mg88  1  0.627675  0.119268  0.644785  1
  Mg  Mg89  1  0.900839  0.104368  0.660921  1
  Mg  Mg90  1  0.355603  0.134645  0.629445  1
  Mg  Mg91  1  0.520899  0.870032  0.644049  1
  Mg  Mg92  1  0.793790  0.854556  0.659423  1
  Mg  Mg93  1  0.247735  0.886434  0.628795  1
  Mg  Mg94  1  0.686859  0.604457  0.658750  1
  Mg  Mg95  1  0.140158  0.637819  0.627744  1
  Mg  Mg96  1  0.413253  0.621538  0.643054  1
  Mg  Mg97  1  0.428704  0.346130  0.668829  1
  Mg  Mg98  1  0.700708  0.331615  0.684160  1
  Mg  Mg99  1  0.971336  0.316612  0.697678  1
  Mg  Mg100  1  0.446385  0.072143  0.692552  1
  Mg  Mg101  1  0.716607  0.055607  0.706269  1
  Mg  Mg102  1  0.172990  0.090446  0.677572  1
  Mg  Mg103  1  0.338434  0.824313  0.691737  1
  Mg  Mg104  1  0.612595  0.808055  0.705915  1
  Mg  Mg105  1  0.063807  0.841204  0.676639  1
  Mg  Mg106  1  0.504285  0.562535  0.704874  1
  Mg  Mg107  1  0.955646  0.591571  0.675667  1
  Mg  Mg108  1  0.230506  0.575569  0.690365  1
