# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.23640179
_cell_length_b   11.23313082
_cell_length_c   48.14966340
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg126
_cell_volume   6046.98553734
_cell_formula_units_Z   126
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  0.875608  0.209369  0.338071  1
  Mg  Mg2  1  0.318309  0.980672  0.273325  1
  Mg  Mg3  1  0.286383  0.262535  0.293718  1
  Mg  Mg4  1  0.646878  0.652144  0.273326  1
  Mg  Mg5  1  0.601490  0.935320  0.292802  1
  Mg  Mg6  1  0.569354  0.236276  0.313827  1
  Mg  Mg7  1  0.928708  0.620168  0.293711  1
  Mg  Mg8  1  0.902558  0.903129  0.313830  1
  Mg  Mg9  1  0.233576  0.567311  0.312803  1
  Mg  Mg10  1  0.052194  0.385975  0.321797  1
  Mg  Mg11  1  0.396110  0.057200  0.328747  1
  Mg  Mg12  1  0.464647  0.462532  0.282817  1
  Mg  Mg13  1  0.723452  0.729923  0.328745  1
  Mg  Mg14  1  0.792563  0.126350  0.283361  1
  Mg  Mg15  1  0.754022  0.418671  0.303060  1
  Mg  Mg16  1  0.128736  0.798395  0.282813  1
  Mg  Mg17  1  0.084911  0.087827  0.303064  1
  Mg  Mg18  1  0.416225  0.749997  0.303558  1
  Mg  Mg19  1  0.786719  0.120417  0.402866  1
  Mg  Mg20  1  0.213992  0.882805  0.336873  1
  Mg  Mg21  1  0.181507  0.186858  0.357587  1
  Mg  Mg22  1  0.549080  0.547777  0.336876  1
  Mg  Mg23  1  0.510869  0.844601  0.358867  1
  Mg  Mg24  1  0.487080  0.155688  0.381798  1
  Mg  Mg25  1  0.853075  0.515239  0.357584  1
  Mg  Mg26  1  0.822005  0.820797  0.381799  1
  Mg  Mg27  1  0.146398  0.480092  0.378264  1
  Mg  Mg28  1  0.968514  0.302238  0.391991  1
  Mg  Mg29  1  0.303405  0.974348  0.392152  1
  Mg  Mg30  1  0.367338  0.367720  0.347592  1
  Mg  Mg31  1  0.640648  0.637139  0.392156  1
  Mg  Mg32  1  0.694328  0.028046  0.347515  1
  Mg  Mg33  1  0.666564  0.335015  0.368791  1
  Mg  Mg34  1  0.033964  0.701030  0.347585  1
  Mg  Mg35  1  0.001302  1.000315  0.368792  1
  Mg  Mg36  1  0.328554  0.662269  0.368096  1
  Mg  Mg37  1  0.694089  0.027725  0.470103  1
  Mg  Mg38  1  0.122736  0.790392  0.403412  1
  Mg  Mg39  1  0.090105  0.091606  0.425310  1
  Mg  Mg40  1  0.456712  0.456457  0.403418  1
  Mg  Mg41  1  0.420863  0.754544  0.424376  1
  Mg  Mg42  1  0.394346  0.062345  0.447954  1
  Mg  Mg43  1  0.757898  0.423779  0.425310  1
  Mg  Mg44  1  0.728713  0.728012  0.447957  1
  Mg  Mg45  1  0.057602  0.391252  0.447834  1
  Mg  Mg46  1  0.875917  0.209574  0.458911  1
  Mg  Mg47  1  0.213001  0.880262  0.459284  1
  Mg  Mg48  1  0.271706  0.275247  0.414188  1
  Mg  Mg49  1  0.546616  0.546682  0.459290  1
  Mg  Mg50  1  0.604138  0.937807  0.414158  1
  Mg  Mg51  1  0.576744  0.243625  0.437238  1
  Mg  Mg52  1  0.941550  0.605363  0.414184  1
  Mg  Mg53  1  0.909969  0.910433  0.437238  1
  Mg  Mg54  1  0.237905  0.571572  0.435210  1
  Mg  Mg55  1  0.601531  0.935111  0.536830  1
  Mg  Mg56  1  0.031111  0.696819  0.470278  1
  Mg  Mg57  1  0.999952  0.999756  0.492898  1
  Mg  Mg58  1  0.363187  0.364774  0.470282  1
  Mg  Mg59  1  0.329012  0.662644  0.491550  1
  Mg  Mg60  1  0.303322  0.969935  0.515429  1
  Mg  Mg61  1  0.666111  0.333574  0.492898  1
  Mg  Mg62  1  0.636351  0.636939  0.515435  1
  Mg  Mg63  1  0.966229  0.299824  0.514482  1
  Mg  Mg64  1  0.784507  0.118106  0.525961  1
  Mg  Mg65  1  0.121378  0.787052  0.526383  1
  Mg  Mg66  1  0.181527  0.181252  0.481369  1
  Mg  Mg67  1  0.453454  0.455002  0.526386  1
  Mg  Mg68  1  0.511420  0.845036  0.480680  1
  Mg  Mg69  1  0.484315  0.151648  0.503828  1
  Mg  Mg70  1  0.847614  0.515143  0.481369  1
  Mg  Mg71  1  0.818048  0.817943  0.503831  1
  Mg  Mg72  1  0.148058  0.481677  0.503543  1
  Mg  Mg73  1  0.508801  0.842333  0.603354  1
  Mg  Mg74  1  0.937993  0.605402  0.537324  1
  Mg  Mg75  1  0.907898  0.908430  0.559559  1
  Mg  Mg76  1  0.271820  0.271594  0.537323  1
  Mg  Mg77  1  0.237467  0.571052  0.559503  1
  Mg  Mg78  1  0.211256  0.878378  0.582538  1
  Mg  Mg79  1  0.574837  0.241462  0.559556  1
  Mg  Mg80  1  0.544839  0.544817  0.582541  1
  Mg  Mg81  1  0.874861  0.208395  0.581961  1
  Mg  Mg82  1  0.691806  0.025351  0.592890  1
  Mg  Mg83  1  0.027044  0.696342  0.593317  1
  Mg  Mg84  1  0.089648  0.090226  0.548613  1
  Mg  Mg85  1  0.362790  0.360611  0.593315  1
  Mg  Mg86  1  0.418773  0.752344  0.547756  1
  Mg  Mg87  1  0.393928  0.061129  0.571659  1
  Mg  Mg88  1  0.756643  0.423208  0.548614  1
  Mg  Mg89  1  0.727582  0.727510  0.571665  1
  Mg  Mg90  1  0.055543  0.389099  0.570101  1
  Mg  Mg91  1  0.417099  0.750570  0.670900  1
  Mg  Mg92  1  0.845887  0.512508  0.604624  1
  Mg  Mg93  1  0.817830  0.819293  0.628421  1
  Mg  Mg94  1  0.178986  0.179428  0.604624  1
  Mg  Mg95  1  0.144113  0.477635  0.625401  1
  Mg  Mg96  1  0.117818  0.788504  0.649018  1
  Mg  Mg97  1  0.485741  0.151352  0.628412  1
  Mg  Mg98  1  0.455025  0.451323  0.649013  1
  Mg  Mg99  1  0.779503  0.112978  0.649607  1
  Mg  Mg100  1  0.596147  0.929672  0.659003  1
  Mg  Mg101  1  0.937113  0.603954  0.659982  1
  Mg  Mg102  1  0.995837  0.998589  0.615280  1
  Mg  Mg103  1  0.270474  0.270625  0.659980  1
  Mg  Mg104  1  0.327213  0.660736  0.615273  1
  Mg  Mg105  1  0.304560  0.967763  0.638820  1
  Mg  Mg106  1  0.665066  0.329334  0.615276  1
  Mg  Mg107  1  0.634267  0.638080  0.638821  1
  Mg  Mg108  1  0.964249  0.297748  0.638507  1
  Mg  Mg109  1  0.316069  0.649493  0.733635  1
  Mg  Mg110  1  0.756786  0.424207  0.668967  1
  Mg  Mg111  1  0.731179  0.733161  0.693842  1
  Mg  Mg112  1  0.090746  0.090281  0.668971  1
  Mg  Mg113  1  0.063974  0.397433  0.693265  1
  Mg  Mg114  1  0.037310  0.682322  0.714315  1
  Mg  Mg115  1  0.399662  0.064661  0.693844  1
  Mg  Mg116  1  0.348903  0.370716  0.714318  1
  Mg  Mg117  1  0.686899  0.020360  0.712345  1
  Mg  Mg118  1  0.501176  0.834621  0.724904  1
  Mg  Mg119  1  0.838721  0.504771  0.723802  1
  Mg  Mg120  1  0.917294  0.911457  0.684229  1
  Mg  Mg121  1  0.171320  0.172157  0.723810  1
  Mg  Mg122  1  0.239953  0.573392  0.677988  1
  Mg  Mg123  1  0.212461  0.883380  0.704118  1
  Mg  Mg124  1  0.577964  0.250747  0.684217  1
  Mg  Mg125  1  0.549926  0.545915  0.704118  1
  Mg  Mg126  1  0.879619  0.213069  0.703178  1
