# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40962042
_cell_length_b   10.86387598
_cell_length_c   48.24532986
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.17928679
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg84
_cell_volume   4400.96106342
_cell_formula_units_Z   84
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  0.306312  0.622306  0.285049  1
  Mg  Mg2  1  0.658362  0.595711  0.303653  1
  Mg  Mg3  1  0.010521  0.566663  0.323572  1
  Mg  Mg4  1  0.455571  0.814626  0.326458  1
  Mg  Mg5  1  0.745469  0.870823  0.286896  1
  Mg  Mg6  1  0.100018  0.841143  0.304829  1
  Mg  Mg7  1  0.334896  0.079805  0.313093  1
  Mg  Mg8  1  0.688065  0.054372  0.334980  1
  Mg  Mg9  1  0.976115  0.108362  0.294376  1
  Mg  Mg10  1  0.569449  0.320397  0.321137  1
  Mg  Mg11  1  0.922529  0.293217  0.342903  1
  Mg  Mg12  1  0.211545  0.346964  0.301734  1
  Mg  Mg13  1  0.367545  0.538120  0.345381  1
  Mg  Mg14  1  0.721617  0.511986  0.365877  1
  Mg  Mg15  1  0.077002  0.483846  0.386516  1
  Mg  Mg16  1  0.521427  0.731535  0.388741  1
  Mg  Mg17  1  0.811771  0.787057  0.347373  1
  Mg  Mg18  1  0.166167  0.758321  0.367464  1
  Mg  Mg19  1  0.398751  0.997908  0.376235  1
  Mg  Mg20  1  0.754282  0.970677  0.397205  1
  Mg  Mg21  1  0.044875  0.025095  0.355205  1
  Mg  Mg22  1  0.632073  0.237554  0.384547  1
  Mg  Mg23  1  0.987744  0.208971  0.405387  1
  Mg  Mg24  1  0.278426  0.263409  0.363416  1
  Mg  Mg25  1  0.431806  0.456009  0.407654  1
  Mg  Mg26  1  0.787342  0.428671  0.428423  1
  Mg  Mg27  1  0.142073  0.400971  0.449285  1
  Mg  Mg28  1  0.586930  0.648447  0.451287  1
  Mg  Mg29  1  0.876907  0.703694  0.409592  1
  Mg  Mg30  1  0.231699  0.676025  0.430303  1
  Mg  Mg31  1  0.464553  0.914976  0.438904  1
  Mg  Mg32  1  0.819761  0.887313  0.459770  1
  Mg  Mg33  1  0.109447  0.942295  0.417876  1
  Mg  Mg34  1  0.697651  0.153909  0.447312  1
  Mg  Mg35  1  0.052730  0.125986  0.468159  1
  Mg  Mg36  1  0.342466  0.181261  0.426399  1
  Mg  Mg37  1  0.497394  0.373342  0.470232  1
  Mg  Mg38  1  0.852521  0.345746  0.491114  1
  Mg  Mg39  1  0.207565  0.318086  0.511963  1
  Mg  Mg40  1  0.652288  0.565568  0.513942  1
  Mg  Mg41  1  0.942074  0.620801  0.472176  1
  Mg  Mg42  1  0.297132  0.593145  0.492989  1
  Mg  Mg43  1  0.530113  0.831996  0.501535  1
  Mg  Mg44  1  0.885262  0.804356  0.522411  1
  Mg  Mg45  1  0.174898  0.859593  0.480578  1
  Mg  Mg46  1  0.763044  0.070799  0.510014  1
  Mg  Mg47  1  0.118160  0.043146  0.530838  1
  Mg  Mg48  1  0.407924  0.098398  0.489136  1
  Mg  Mg49  1  0.562841  0.290470  0.532918  1
  Mg  Mg50  1  0.917920  0.262802  0.553821  1
  Mg  Mg51  1  0.272870  0.235240  0.574659  1
  Mg  Mg52  1  0.717539  0.482768  0.576653  1
  Mg  Mg53  1  0.007405  0.537842  0.534839  1
  Mg  Mg54  1  0.362484  0.510110  0.555668  1
  Mg  Mg55  1  0.595657  0.749148  0.564201  1
  Mg  Mg56  1  0.950759  0.721418  0.585054  1
  Mg  Mg57  1  0.240438  0.776662  0.543200  1
  Mg  Mg58  1  0.828492  0.987919  0.572676  1
  Mg  Mg59  1  0.183611  0.960345  0.593363  1
  Mg  Mg60  1  0.473468  0.015513  0.551830  1
  Mg  Mg61  1  0.628505  0.207550  0.595639  1
  Mg  Mg62  1  0.982931  0.179659  0.616664  1
  Mg  Mg63  1  0.338657  0.152078  0.637177  1
  Mg  Mg64  1  0.781430  0.400336  0.639402  1
  Mg  Mg65  1  0.072457  0.454675  0.597557  1
  Mg  Mg66  1  0.427962  0.426870  0.618409  1
  Mg  Mg67  1  0.661278  0.666703  0.626950  1
  Mg  Mg68  1  0.015591  0.638200  0.647620  1
  Mg  Mg69  1  0.305943  0.693451  0.605726  1
  Mg  Mg70  1  0.894255  0.905179  0.635226  1
  Mg  Mg71  1  0.248477  0.877159  0.655451  1
  Mg  Mg72  1  0.539241  0.932688  0.614559  1
  Mg  Mg73  1  0.693814  0.125000  0.658493  1
  Mg  Mg74  1  0.048666  0.096436  0.679637  1
  Mg  Mg75  1  0.401825  0.067884  0.698701  1
  Mg  Mg76  1  0.849171  0.318514  0.700431  1
  Mg  Mg77  1  0.137824  0.370336  0.659994  1
  Mg  Mg78  1  0.489833  0.344564  0.681607  1
  Mg  Mg79  1  0.725055  0.583906  0.689719  1
  Mg  Mg80  1  0.083163  0.555035  0.708481  1
  Mg  Mg81  1  0.372019  0.610543  0.667999  1
  Mg  Mg82  1  0.959560  0.821890  0.697353  1
  Mg  Mg83  1  0.309563  0.793351  0.715811  1
  Mg  Mg84  1  0.605711  0.851160  0.677303  1
