# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50459721
_cell_length_b   21.01474900
_cell_length_c   46.34235465
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.54994504
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg104
_cell_volume   5314.30415385
_cell_formula_units_Z   104
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  0.951170  0.956531  0.279294  1
  Mg  Mg2  1  0.197996  0.451516  0.295032  1
  Mg  Mg3  1  0.472189  0.327292  0.290831  1
  Mg  Mg4  1  0.726258  0.824107  0.306716  1
  Mg  Mg5  1  0.074691  0.202924  0.286622  1
  Mg  Mg6  1  0.322119  0.699934  0.303449  1
  Mg  Mg7  1  0.676121  0.078861  0.282505  1
  Mg  Mg8  1  0.923830  0.575681  0.299304  1
  Mg  Mg9  1  0.446357  0.947771  0.311071  1
  Mg  Mg10  1  0.695109  0.445861  0.328411  1
  Mg  Mg11  1  0.971121  0.321654  0.324154  1
  Mg  Mg12  1  0.221015  0.818713  0.340876  1
  Mg  Mg13  1  0.571776  0.197495  0.319993  1
  Mg  Mg14  1  0.819559  0.694284  0.336872  1
  Mg  Mg15  1  0.173142  0.073403  0.315994  1
  Mg  Mg16  1  0.419272  0.570109  0.332640  1
  Mg  Mg17  1  0.943104  0.942788  0.346207  1
  Mg  Mg18  1  0.192156  0.440018  0.363038  1
  Mg  Mg19  1  0.466919  0.315765  0.358797  1
  Mg  Mg20  1  0.716136  0.812570  0.375629  1
  Mg  Mg21  1  0.068020  0.191520  0.354613  1
  Mg  Mg22  1  0.316239  0.688496  0.371518  1
  Mg  Mg23  1  0.669682  0.066830  0.350240  1
  Mg  Mg24  1  0.917349  0.564248  0.367281  1
  Mg  Mg25  1  0.440464  0.936845  0.380302  1
  Mg  Mg26  1  0.689198  0.434170  0.397545  1
  Mg  Mg27  1  0.963641  0.309909  0.393284  1
  Mg  Mg28  1  0.212691  0.806892  0.410289  1
  Mg  Mg29  1  0.565056  0.185502  0.389024  1
  Mg  Mg30  1  0.813378  0.682662  0.406057  1
  Mg  Mg31  1  0.166715  0.061280  0.384848  1
  Mg  Mg32  1  0.414617  0.558440  0.401784  1
  Mg  Mg33  1  0.937572  0.931021  0.415001  1
  Mg  Mg34  1  0.186317  0.428314  0.432151  1
  Mg  Mg35  1  0.460646  0.303992  0.427883  1
  Mg  Mg36  1  0.709523  0.801029  0.444981  1
  Mg  Mg37  1  0.061942  0.179721  0.423652  1
  Mg  Mg38  1  0.310539  0.676851  0.440687  1
  Mg  Mg39  1  0.663502  0.055331  0.419334  1
  Mg  Mg40  1  0.911805  0.552582  0.436405  1
  Mg  Mg41  1  0.434678  0.925252  0.449510  1
  Mg  Mg42  1  0.683394  0.422454  0.466726  1
  Mg  Mg43  1  0.957683  0.298164  0.462468  1
  Mg  Mg44  1  0.206613  0.795255  0.479618  1
  Mg  Mg45  1  0.558995  0.173831  0.458194  1
  Mg  Mg46  1  0.807752  0.671018  0.475284  1
  Mg  Mg47  1  0.160374  0.049535  0.453938  1
  Mg  Mg48  1  0.409064  0.546750  0.470988  1
  Mg  Mg49  1  0.931814  0.919456  0.484136  1
  Mg  Mg50  1  0.180567  0.416616  0.501314  1
  Mg  Mg51  1  0.454763  0.292292  0.497041  1
  Mg  Mg52  1  0.703769  0.789452  0.514225  1
  Mg  Mg53  1  0.056010  0.168007  0.492786  1
  Mg  Mg54  1  0.305024  0.665206  0.509888  1
  Mg  Mg55  1  0.657274  0.043694  0.488501  1
  Mg  Mg56  1  0.906302  0.540898  0.505567  1
  Mg  Mg57  1  0.428912  0.913649  0.518745  1
  Mg  Mg58  1  0.677672  0.410748  0.535883  1
  Mg  Mg59  1  0.951864  0.286455  0.531629  1
  Mg  Mg60  1  0.200948  0.783663  0.548854  1
  Mg  Mg61  1  0.553072  0.162152  0.527363  1
  Mg  Mg62  1  0.802310  0.659364  0.544450  1
  Mg  Mg63  1  0.154181  0.037881  0.523111  1
  Mg  Mg64  1  0.403565  0.535086  0.540164  1
  Mg  Mg65  1  0.926053  0.907876  0.553373  1
  Mg  Mg66  1  0.174851  0.404918  0.570465  1
  Mg  Mg67  1  0.448952  0.280594  0.566198  1
  Mg  Mg68  1  0.698205  0.777878  0.583355  1
  Mg  Mg69  1  0.050018  0.156309  0.561949  1
  Mg  Mg70  1  0.299614  0.653591  0.579058  1
  Mg  Mg71  1  0.650956  0.032041  0.557716  1
  Mg  Mg72  1  0.900776  0.529193  0.574706  1
  Mg  Mg73  1  0.422984  0.902026  0.588070  1
  Mg  Mg74  1  0.671872  0.399033  0.605045  1
  Mg  Mg75  1  0.946060  0.274732  0.600810  1
  Mg  Mg76  1  0.195315  0.772133  0.618066  1
  Mg  Mg77  1  0.546989  0.150463  0.596558  1
  Mg  Mg78  1  0.796932  0.647601  0.613545  1
  Mg  Mg79  1  0.147689  0.026220  0.592365  1
  Mg  Mg80  1  0.397914  0.523430  0.609346  1
  Mg  Mg81  1  0.919939  0.896325  0.622704  1
  Mg  Mg82  1  0.169044  0.393150  0.639533  1
  Mg  Mg83  1  0.443299  0.268909  0.635297  1
  Mg  Mg84  1  0.692859  0.766064  0.652112  1
  Mg  Mg85  1  0.043877  0.144624  0.631081  1
  Mg  Mg86  1  0.293976  0.642136  0.648158  1
  Mg  Mg87  1  0.644078  0.020398  0.626919  1
  Mg  Mg88  1  0.895045  0.517394  0.643767  1
  Mg  Mg89  1  0.416891  0.890289  0.657509  1
  Mg  Mg90  1  0.666101  0.387275  0.674145  1
  Mg  Mg91  1  0.941503  0.263075  0.669932  1
  Mg  Mg92  1  0.189281  0.761109  0.687252  1
  Mg  Mg93  1  0.540804  0.138911  0.665687  1
  Mg  Mg94  1  0.791251  0.635505  0.682468  1
  Mg  Mg95  1  0.139785  0.014554  0.661596  1
  Mg  Mg96  1  0.390549  0.511512  0.678386  1
  Mg  Mg97  1  0.910837  0.884741  0.691582  1
  Mg  Mg98  1  0.163352  0.381645  0.707535  1
  Mg  Mg99  1  0.437048  0.257466  0.703276  1
  Mg  Mg100  1  0.681701  0.752629  0.718972  1
  Mg  Mg101  1  0.038141  0.133326  0.699108  1
  Mg  Mg102  1  0.286615  0.629841  0.715921  1
  Mg  Mg103  1  0.638186  0.009441  0.694993  1
  Mg  Mg104  1  0.889013  0.505719  0.711749  1
