# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.16025103
_cell_length_b   12.89537372
_cell_length_c   45.88845813
_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   5530.52682673
_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  0.458127  0.209847  0.299941  1
  Mg  Mg2  1  0.961943  0.209972  0.299953  1
  Mg  Mg3  1  0.904271  0.597483  0.274936  1
  Mg  Mg4  1  0.036398  0.862779  0.301788  1
  Mg  Mg5  1  0.407123  0.603017  0.273993  1
  Mg  Mg6  1  0.534770  0.859510  0.301049  1
  Mg  Mg7  1  0.783418  0.357124  0.300978  1
  Mg  Mg8  1  0.288287  0.366683  0.301906  1
  Mg  Mg9  1  0.209631  0.711141  0.300781  1
  Mg  Mg10  1  0.654981  0.099045  0.274346  1
  Mg  Mg11  1  0.712005  0.711217  0.300797  1
  Mg  Mg12  1  0.836044  0.968499  0.331017  1
  Mg  Mg13  1  0.167273  0.124617  0.335207  1
  Mg  Mg14  1  0.668662  0.127591  0.338824  1
  Mg  Mg15  1  0.591824  0.469638  0.330131  1
  Mg  Mg16  1  0.721103  0.732546  0.368566  1
  Mg  Mg17  1  0.087446  0.469588  0.330132  1
  Mg  Mg18  1  0.221044  0.732544  0.368546  1
  Mg  Mg19  1  0.468728  0.231261  0.367391  1
  Mg  Mg20  1  0.972051  0.231191  0.367405  1
  Mg  Mg21  1  0.919168  0.628469  0.339415  1
  Mg  Mg22  1  0.342207  0.968411  0.330998  1
  Mg  Mg23  1  0.418136  0.626395  0.338959  1
  Mg  Mg24  1  0.547457  0.885303  0.369247  1
  Mg  Mg25  1  0.848457  0.989112  0.400321  1
  Mg  Mg26  1  0.349972  0.989061  0.400238  1
  Mg  Mg27  1  0.297626  0.385858  0.369226  1
  Mg  Mg28  1  0.427584  0.645782  0.405763  1
  Mg  Mg29  1  0.797190  0.384888  0.369040  1
  Mg  Mg30  1  0.927836  0.646335  0.405957  1
  Mg  Mg31  1  0.177217  0.145024  0.403876  1
  Mg  Mg32  1  0.677886  0.146492  0.405404  1
  Mg  Mg33  1  0.599404  0.488816  0.399910  1
  Mg  Mg34  1  0.048509  0.887592  0.369182  1
  Mg  Mg35  1  0.098716  0.488818  0.399917  1
  Mg  Mg36  1  0.228564  0.747860  0.436720  1
  Mg  Mg37  1  0.556168  0.903012  0.437473  1
  Mg  Mg38  1  0.056296  0.903619  0.437363  1
  Mg  Mg39  1  0.978914  0.247188  0.435933  1
  Mg  Mg40  1  0.105981  0.503143  0.469288  1
  Mg  Mg41  1  0.477487  0.247273  0.435900  1
  Mg  Mg42  1  0.606180  0.503173  0.469280  1
  Mg  Mg43  1  0.856067  0.003553  0.469316  1
  Mg  Mg44  1  0.356431  0.003418  0.469099  1
  Mg  Mg45  1  0.306053  0.403009  0.437507  1
  Mg  Mg46  1  0.728482  0.747860  0.436756  1
  Mg  Mg47  1  0.805914  0.402676  0.437529  1
  Mg  Mg48  1  0.934661  0.660307  0.473290  1
  Mg  Mg49  1  0.234372  0.759818  0.504971  1
  Mg  Mg50  1  0.734331  0.759792  0.505028  1
  Mg  Mg51  1  0.684757  0.160624  0.472959  1
  Mg  Mg52  1  0.812421  0.415927  0.506031  1
  Mg  Mg53  1  0.184640  0.160134  0.472338  1
  Mg  Mg54  1  0.312423  0.416027  0.505982  1
  Mg  Mg55  1  0.562580  0.915836  0.505675  1
  Mg  Mg56  1  0.062241  0.916048  0.505600  1
  Mg  Mg57  1  0.984549  0.259657  0.504593  1
  Mg  Mg58  1  0.434588  0.660134  0.473216  1
  Mg  Mg59  1  0.484107  0.259873  0.504531  1
  Mg  Mg60  1  0.611751  0.514706  0.538330  1
  Mg  Mg61  1  0.940227  0.671626  0.541133  1
  Mg  Mg62  1  0.440149  0.671567  0.541106  1
  Mg  Mg63  1  0.361810  0.014722  0.537479  1
  Mg  Mg64  1  0.489585  0.270712  0.573150  1
  Mg  Mg65  1  0.861862  0.015093  0.538026  1
  Mg  Mg66  1  0.989500  0.270119  0.573226  1
  Mg  Mg67  1  0.239379  0.770086  0.573251  1
  Mg  Mg68  1  0.739308  0.769954  0.573311  1
  Mg  Mg69  1  0.690188  0.171989  0.541111  1
  Mg  Mg70  1  0.111673  0.514616  0.538339  1
  Mg  Mg71  1  0.190493  0.171826  0.540863  1
  Mg  Mg72  1  0.317684  0.426849  0.574489  1
  Mg  Mg73  1  0.616950  0.525363  0.607238  1
  Mg  Mg74  1  0.116834  0.525133  0.607240  1
  Mg  Mg75  1  0.066945  0.926389  0.573835  1
  Mg  Mg76  1  0.195888  0.181961  0.609608  1
  Mg  Mg77  1  0.568060  0.926310  0.573874  1
  Mg  Mg78  1  0.694663  0.182016  0.609704  1
  Mg  Mg79  1  0.945415  0.681946  0.609388  1
  Mg  Mg80  1  0.445073  0.681927  0.609378  1
  Mg  Mg81  1  0.366533  0.024467  0.605283  1
  Mg  Mg82  1  0.817797  0.426821  0.574523  1
  Mg  Mg83  1  0.866957  0.025427  0.606646  1
  Mg  Mg84  1  0.994433  0.280292  0.641628  1
  Mg  Mg85  1  0.322610  0.437490  0.642782  1
  Mg  Mg86  1  0.823299  0.437486  0.642802  1
  Mg  Mg87  1  0.743758  0.779042  0.641469  1
  Mg  Mg88  1  0.872221  0.036258  0.675335  1
  Mg  Mg89  1  0.244119  0.779812  0.641530  1
  Mg  Mg90  1  0.371526  0.034693  0.672102  1
  Mg  Mg91  1  0.621814  0.535348  0.676318  1
  Mg  Mg92  1  0.121569  0.534867  0.676287  1
  Mg  Mg93  1  0.070707  0.935740  0.642048  1
  Mg  Mg94  1  0.495329  0.282283  0.641672  1
  Mg  Mg95  1  0.573436  0.935682  0.642065  1
  Mg  Mg96  1  0.698376  0.193023  0.678555  1
  Mg  Mg97  1  0.998587  0.288750  0.708593  1
  Mg  Mg98  1  0.499710  0.291085  0.709543  1
  Mg  Mg99  1  0.449911  0.693684  0.678106  1
  Mg  Mg100  1  0.579755  0.948432  0.709539  1
  Mg  Mg101  1  0.952120  0.693716  0.678114  1
  Mg  Mg102  1  0.076589  0.948320  0.709522  1
  Mg  Mg103  1  0.325339  0.444305  0.709597  1
  Mg  Mg104  1  0.827153  0.444343  0.709613  1
  Mg  Mg105  1  0.749504  0.790849  0.708296  1
  Mg  Mg106  1  0.203009  0.192939  0.678525  1
  Mg  Mg107  1  0.253591  0.798823  0.709066  1
  Mg  Mg108  1  0.379698  0.052130  0.736911  1
