# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17234039
_cell_length_b   31.26578255
_cell_length_c   49.26672195
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.91468375
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg96
_cell_volume   4880.23308509
_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  0.461188  0.961234  0.282426  1
  Mg  Mg2  1  0.626857  0.292707  0.300817  1
  Mg  Mg3  1  0.791926  0.622583  0.318179  1
  Mg  Mg4  1  0.582607  0.204001  0.331509  1
  Mg  Mg5  1  0.251641  0.542040  0.296302  1
  Mg  Mg6  1  0.417608  0.873984  0.314150  1
  Mg  Mg7  1  0.543240  0.125090  0.291466  1
  Mg  Mg8  1  0.709354  0.457534  0.309649  1
  Mg  Mg9  1  0.874498  0.787765  0.327325  1
  Mg  Mg10  1  1.000992  0.040725  0.304853  1
  Mg  Mg11  1  0.166661  0.372225  0.323248  1
  Mg  Mg12  1  0.835612  0.709976  0.287043  1
  Mg  Mg13  1  0.957301  0.953393  0.337041  1
  Mg  Mg14  1  0.122641  0.284172  0.355280  1
  Mg  Mg15  1  0.288042  0.614833  0.373424  1
  Mg  Mg16  1  0.078737  0.196267  0.386988  1
  Mg  Mg17  1  0.748001  0.534773  0.350718  1
  Mg  Mg18  1  0.913277  0.865325  0.368922  1
  Mg  Mg19  1  0.039915  0.118544  0.346048  1
  Mg  Mg20  1  0.205383  0.449582  0.364448  1
  Mg  Mg21  1  0.370695  0.780172  0.382658  1
  Mg  Mg22  1  0.497345  0.033448  0.359816  1
  Mg  Mg23  1  0.662678  0.364218  0.378220  1
  Mg  Mg24  1  0.331904  0.702569  0.341656  1
  Mg  Mg25  1  0.453315  0.945422  0.392375  1
  Mg  Mg26  1  0.618690  0.276230  0.410730  1
  Mg  Mg27  1  0.784144  0.607052  0.429239  1
  Mg  Mg28  1  0.574818  0.188436  0.442927  1
  Mg  Mg29  1  0.244094  0.526964  0.406181  1
  Mg  Mg30  1  0.409406  0.857598  0.424619  1
  Mg  Mg31  1  0.536096  0.110950  0.401523  1
  Mg  Mg32  1  0.701407  0.441622  0.420040  1
  Mg  Mg33  1  0.866789  0.772371  0.438513  1
  Mg  Mg34  1  0.993406  0.025590  0.415486  1
  Mg  Mg35  1  0.158736  0.356314  0.433944  1
  Mg  Mg36  1  0.828041  0.694855  0.397027  1
  Mg  Mg37  1  0.949440  0.937681  0.448077  1
  Mg  Mg38  1  0.114808  0.268446  0.466472  1
  Mg  Mg39  1  0.280240  0.599247  0.485039  1
  Mg  Mg40  1  0.070904  0.180613  0.498782  1
  Mg  Mg41  1  0.740183  0.519138  0.461847  1
  Mg  Mg42  1  0.905532  0.849862  0.480394  1
  Mg  Mg43  1  0.032160  0.103102  0.457243  1
  Mg  Mg44  1  0.197515  0.433830  0.475770  1
  Mg  Mg45  1  0.362899  0.764603  0.494341  1
  Mg  Mg46  1  0.489501  0.017798  0.471257  1
  Mg  Mg47  1  0.654857  0.348540  0.489709  1
  Mg  Mg48  1  0.324149  0.687083  0.452743  1
  Mg  Mg49  1  0.445555  0.929924  0.503858  1
  Mg  Mg50  1  0.610916  0.260658  0.522253  1
  Mg  Mg51  1  0.776350  0.591461  0.540803  1
  Mg  Mg52  1  0.567004  0.172820  0.554577  1
  Mg  Mg53  1  0.236298  0.511359  0.517575  1
  Mg  Mg54  1  0.401648  0.842110  0.536170  1
  Mg  Mg55  1  0.528252  0.095303  0.513027  1
  Mg  Mg56  1  0.693639  0.426069  0.531513  1
  Mg  Mg57  1  0.859003  0.756825  0.550130  1
  Mg  Mg58  1  0.985608  0.010025  0.527017  1
  Mg  Mg59  1  0.150974  0.340767  0.545443  1
  Mg  Mg60  1  0.820255  0.679303  0.508521  1
  Mg  Mg61  1  0.941665  0.922160  0.559688  1
  Mg  Mg62  1  0.107021  0.252872  0.578064  1
  Mg  Mg63  1  0.272465  0.583670  0.596523  1
  Mg  Mg64  1  0.063132  0.165085  0.610295  1
  Mg  Mg65  1  0.732421  0.503588  0.573332  1
  Mg  Mg66  1  0.897764  0.834364  0.591920  1
  Mg  Mg67  1  0.024352  0.087512  0.568850  1
  Mg  Mg68  1  0.189757  0.418295  0.587243  1
  Mg  Mg69  1  0.355066  0.748976  0.605843  1
  Mg  Mg70  1  0.481717  0.002258  0.582734  1
  Mg  Mg71  1  0.647087  0.332989  0.601115  1
  Mg  Mg72  1  0.316344  0.671486  0.564343  1
  Mg  Mg73  1  0.437773  0.914398  0.615556  1
  Mg  Mg74  1  0.603170  0.245183  0.633883  1
  Mg  Mg75  1  0.768513  0.575719  0.651949  1
  Mg  Mg76  1  0.559381  0.157592  0.665643  1
  Mg  Mg77  1  0.228484  0.495690  0.629051  1
  Mg  Mg78  1  0.393780  0.826423  0.647435  1
  Mg  Mg79  1  0.520471  0.079757  0.624669  1
  Mg  Mg80  1  0.685810  0.410389  0.642849  1
  Mg  Mg81  1  0.851200  0.741289  0.661295  1
  Mg  Mg82  1  0.977872  0.994583  0.638234  1
  Mg  Mg83  1  0.143204  0.325226  0.656596  1
  Mg  Mg84  1  0.812421  0.663641  0.620226  1
  Mg  Mg85  1  0.933841  0.906558  0.670841  1
  Mg  Mg86  1  0.099310  0.237477  0.689169  1
  Mg  Mg87  1  0.264413  0.567405  0.706448  1
  Mg  Mg88  1  0.055563  0.149973  0.720264  1
  Mg  Mg89  1  0.724575  0.487824  0.684045  1
  Mg  Mg90  1  0.889503  0.817866  0.702168  1
  Mg  Mg91  1  0.016860  0.072539  0.679886  1
  Mg  Mg92  1  0.181884  0.402525  0.697644  1
  Mg  Mg93  1  0.347390  0.733784  0.715962  1
  Mg  Mg94  1  0.474251  0.987354  0.692488  1
  Mg  Mg95  1  0.639610  0.318049  0.711018  1
  Mg  Mg96  1  0.308513  0.655828  0.675612  1
