# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17629177
_cell_length_b   31.61304685
_cell_length_c   48.94678389
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg96
_cell_volume   4914.85721086
_cell_formula_units_Z   96
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  1.002314  0.584867  0.297517  1
  Mg  Mg2  1  0.502314  0.923565  0.279169  1
  Mg  Mg3  1  0.502314  0.248244  0.315030  1
  Mg  Mg4  1  0.502314  0.834024  0.305410  1
  Mg  Mg5  1  1.002314  0.172534  0.287618  1
  Mg  Mg6  1  1.002314  0.495158  0.323562  1
  Mg  Mg7  1  1.002314  0.747407  0.315040  1
  Mg  Mg8  1  0.502314  0.086251  0.296581  1
  Mg  Mg9  1  0.502314  0.408545  0.333057  1
  Mg  Mg10  1  0.502314  0.661201  0.324636  1
  Mg  Mg11  1  1.002314  0.999950  0.306203  1
  Mg  Mg12  1  0.502314  0.337528  0.289428  1
  Mg  Mg13  1  0.502314  0.570848  0.352429  1
  Mg  Mg14  1  1.002314  0.909546  0.334097  1
  Mg  Mg15  1  1.002314  0.232371  0.370323  1
  Mg  Mg16  1  1.002314  0.818440  0.360617  1
  Mg  Mg17  1  0.502314  0.156959  0.342404  1
  Mg  Mg18  1  0.502314  0.479882  0.378864  1
  Mg  Mg19  1  0.502314  0.732408  0.370213  1
  Mg  Mg20  1  1.002314  0.071028  0.351740  1
  Mg  Mg21  1  1.002314  0.394171  0.388705  1
  Mg  Mg22  1  1.002314  0.646487  0.379768  1
  Mg  Mg23  1  0.502314  0.985111  0.361353  1
  Mg  Mg24  1  1.002314  0.322883  0.344352  1
  Mg  Mg25  1  1.002314  0.555420  0.407433  1
  Mg  Mg26  1  0.502314  0.893964  0.389059  1
  Mg  Mg27  1  0.502314  0.217110  0.426025  1
  Mg  Mg28  1  0.502314  0.803077  0.416343  1
  Mg  Mg29  1  1.002314  0.141493  0.397949  1
  Mg  Mg30  1  1.002314  0.464768  0.434802  1
  Mg  Mg31  1  1.002314  0.717171  0.425880  1
  Mg  Mg32  1  0.502314  0.055629  0.407437  1
  Mg  Mg33  1  0.502314  0.378861  0.444457  1
  Mg  Mg34  1  0.502314  0.631192  0.435386  1
  Mg  Mg35  1  1.002314  0.969657  0.416971  1
  Mg  Mg36  1  0.502314  0.307962  0.398908  1
  Mg  Mg37  1  0.502314  0.540321  0.463130  1
  Mg  Mg38  1  1.002314  0.878671  0.444687  1
  Mg  Mg39  1  1.002314  0.201842  0.481736  1
  Mg  Mg40  1  1.002314  0.787830  0.472171  1
  Mg  Mg41  1  0.502314  0.126185  0.453734  1
  Mg  Mg42  1  0.502314  0.449523  0.490655  1
  Mg  Mg43  1  0.502314  0.701909  0.481652  1
  Mg  Mg44  1  1.002314  0.040268  0.463219  1
  Mg  Mg45  1  1.002314  0.363595  0.500183  1
  Mg  Mg46  1  1.002314  0.615996  0.491147  1
  Mg  Mg47  1  0.502314  0.954347  0.472716  1
  Mg  Mg48  1  1.002314  0.292772  0.454280  1
  Mg  Mg49  1  1.002314  0.525112  0.518878  1
  Mg  Mg50  1  0.502314  0.863447  0.500419  1
  Mg  Mg51  1  0.502314  0.186592  0.537394  1
  Mg  Mg52  1  0.502314  0.772616  0.527919  1
  Mg  Mg53  1  1.002314  0.110888  0.509484  1
  Mg  Mg54  1  1.002314  0.434323  0.546402  1
  Mg  Mg55  1  1.002314  0.686660  0.537423  1
  Mg  Mg56  1  0.502314  0.024982  0.519008  1
  Mg  Mg57  1  0.502314  0.348339  0.555822  1
  Mg  Mg58  1  0.502314  0.600718  0.546921  1
  Mg  Mg59  1  1.002314  0.939085  0.528499  1
  Mg  Mg60  1  0.502314  0.277540  0.509839  1
  Mg  Mg61  1  0.502314  0.509932  0.574703  1
  Mg  Mg62  1  1.002314  0.848243  0.556213  1
  Mg  Mg63  1  1.002314  0.171465  0.593024  1
  Mg  Mg64  1  1.002314  0.757382  0.583561  1
  Mg  Mg65  1  0.502314  0.095665  0.565233  1
  Mg  Mg66  1  0.502314  0.419085  0.602023  1
  Mg  Mg67  1  0.502314  0.671271  0.593154  1
  Mg  Mg68  1  1.002314  0.009710  0.574810  1
  Mg  Mg69  1  1.002314  0.332997  0.611337  1
  Mg  Mg70  1  1.002314  0.585543  0.602802  1
  Mg  Mg71  1  0.502314  0.923885  0.584335  1
  Mg  Mg72  1  1.002314  0.262250  0.565512  1
  Mg  Mg73  1  1.002314  0.494598  0.630505  1
  Mg  Mg74  1  0.502314  0.832926  0.611981  1
  Mg  Mg75  1  0.502314  0.156015  0.648074  1
  Mg  Mg76  1  0.502314  0.741771  0.638761  1
  Mg  Mg77  1  1.002314  0.080382  0.620871  1
  Mg  Mg78  1  1.002314  0.403557  0.657203  1
  Mg  Mg79  1  1.002314  0.656300  0.648981  1
  Mg  Mg80  1  0.502314  0.994686  0.630579  1
  Mg  Mg81  1  0.502314  0.318670  0.666569  1
  Mg  Mg82  1  0.502314  0.570152  0.658301  1
  Mg  Mg83  1  1.002314  0.908639  0.639825  1
  Mg  Mg84  1  0.502314  0.247125  0.621357  1
  Mg  Mg85  1  0.502314  0.478716  0.686068  1
  Mg  Mg86  1  1.002314  0.817432  0.667417  1
  Mg  Mg87  1  1.002314  0.143671  0.703583  1
  Mg  Mg88  1  1.002314  0.727912  0.694415  1
  Mg  Mg89  1  0.502314  0.066326  0.676281  1
  Mg  Mg90  1  0.502314  0.388397  0.712754  1
  Mg  Mg91  1  0.502314  0.641210  0.703934  1
  Mg  Mg92  1  1.002314  0.979821  0.685618  1
  Mg  Mg93  1  1.002314  0.300979  0.721136  1
  Mg  Mg94  1  1.002314  0.555324  0.713040  1
  Mg  Mg95  1  0.502314  0.893803  0.694593  1
  Mg  Mg96  1  1.002314  0.232046  0.676596  1
