# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50769338
_cell_length_b   15.81681111
_cell_length_c   45.67731683
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.00290906
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg78
_cell_volume   3918.65326597
_cell_formula_units_Z   78
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  0.417072  0.168100  0.288593  1
  Mg  Mg2  1  0.580308  0.494588  0.300043  1
  Mg  Mg3  1  0.742758  0.826585  0.310568  1
  Mg  Mg4  1  0.673498  0.006708  0.283123  1
  Mg  Mg5  1  0.832758  0.330766  0.294429  1
  Mg  Mg6  1  0.991833  0.658899  0.305826  1
  Mg  Mg7  1  0.912146  0.156465  0.321850  1
  Mg  Mg8  1  0.074243  0.485377  0.333212  1
  Mg  Mg9  1  0.238661  0.815715  0.343847  1
  Mg  Mg10  1  0.165600  0.991130  0.315618  1
  Mg  Mg11  1  0.329185  0.321058  0.327638  1
  Mg  Mg12  1  0.491592  0.650198  0.338730  1
  Mg  Mg13  1  0.407250  0.145026  0.355486  1
  Mg  Mg14  1  0.571160  0.475618  0.367220  1
  Mg  Mg15  1  0.734894  0.805238  0.378217  1
  Mg  Mg16  1  0.660157  0.980841  0.349955  1
  Mg  Mg17  1  0.822308  0.310486  0.361543  1
  Mg  Mg18  1  0.986426  0.640524  0.372882  1
  Mg  Mg19  1  0.902319  0.135163  0.389983  1
  Mg  Mg20  1  0.066015  0.465180  0.401516  1
  Mg  Mg21  1  0.230389  0.795017  0.412769  1
  Mg  Mg22  1  0.153471  0.970063  0.383929  1
  Mg  Mg23  1  0.317688  0.300039  0.395769  1
  Mg  Mg24  1  0.481695  0.630135  0.407211  1
  Mg  Mg25  1  0.396653  0.124613  0.424634  1
  Mg  Mg26  1  0.560780  0.454707  0.436272  1
  Mg  Mg27  1  0.725462  0.784510  0.447678  1
  Mg  Mg28  1  0.648130  0.959693  0.418859  1
  Mg  Mg29  1  0.812541  0.289694  0.430541  1
  Mg  Mg30  1  0.976872  0.619662  0.442044  1
  Mg  Mg31  1  0.891447  0.114319  0.459397  1
  Mg  Mg32  1  0.055765  0.444340  0.470959  1
  Mg  Mg33  1  0.220533  0.774252  0.482449  1
  Mg  Mg34  1  0.142708  0.949366  0.453511  1
  Mg  Mg35  1  0.307361  0.279306  0.465187  1
  Mg  Mg36  1  0.471723  0.609309  0.476712  1
  Mg  Mg37  1  0.386223  0.103993  0.494082  1
  Mg  Mg38  1  0.550665  0.434015  0.505653  1
  Mg  Mg39  1  0.715388  0.763926  0.517209  1
  Mg  Mg40  1  0.637478  0.939081  0.488347  1
  Mg  Mg41  1  0.802202  0.268992  0.499903  1
  Mg  Mg42  1  0.966643  0.599015  0.511474  1
  Mg  Mg43  1  0.881143  0.093699  0.528844  1
  Mg  Mg44  1  0.045505  0.423701  0.540369  1
  Mg  Mg45  1  0.210158  0.753642  0.552045  1
  Mg  Mg46  1  0.132334  0.928755  0.523107  1
  Mg  Mg47  1  0.297101  0.258667  0.534597  1
  Mg  Mg48  1  0.461419  0.588689  0.546159  1
  Mg  Mg49  1  0.375994  0.083346  0.563512  1
  Mg  Mg50  1  0.540325  0.413314  0.575015  1
  Mg  Mg51  1  0.704736  0.743314  0.586697  1
  Mg  Mg52  1  0.627404  0.918498  0.557878  1
  Mg  Mg53  1  0.792087  0.248301  0.569284  1
  Mg  Mg54  1  0.956213  0.578394  0.580921  1
  Mg  Mg55  1  0.871171  0.072872  0.598344  1
  Mg  Mg56  1  0.035178  0.402968  0.609787  1
  Mg  Mg57  1  0.199396  0.732945  0.621627  1
  Mg  Mg58  1  0.122477  0.907990  0.592787  1
  Mg  Mg59  1  0.286851  0.237828  0.604040  1
  Mg  Mg60  1  0.450548  0.567844  0.615573  1
  Mg  Mg61  1  0.366441  0.062484  0.632674  1
  Mg  Mg62  1  0.530558  0.392522  0.644013  1
  Mg  Mg63  1  0.692709  0.722167  0.655601  1
  Mg  Mg64  1  0.617973  0.897769  0.627339  1
  Mg  Mg65  1  0.781706  0.227389  0.638336  1
  Mg  Mg66  1  0.945616  0.557982  0.650070  1
  Mg  Mg67  1  0.861274  0.052810  0.666826  1
  Mg  Mg68  1  0.023681  0.381950  0.677918  1
  Mg  Mg69  1  0.187266  0.711878  0.689938  1
  Mg  Mg70  1  0.114205  0.887292  0.661709  1
  Mg  Mg71  1  0.278623  0.217631  0.672344  1
  Mg  Mg72  1  0.440721  0.546543  0.683706  1
  Mg  Mg73  1  0.361033  0.044108  0.699730  1
  Mg  Mg74  1  0.520108  0.372242  0.711127  1
  Mg  Mg75  1  0.679369  0.696299  0.722433  1
  Mg  Mg76  1  0.610109  0.876422  0.694988  1
  Mg  Mg77  1  0.772558  0.208419  0.705513  1
  Mg  Mg78  1  0.935794  0.534908  0.716963  1
