# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18308236
_cell_length_b   21.00480451
_cell_length_c   49.23174140
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.35239680
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg64
_cell_volume   3282.14276478
_cell_formula_units_Z   64
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  0.425502  0.911143  0.283150  1
  Mg  Mg2  1  0.671548  0.403073  0.309842  1
  Mg  Mg3  1  0.112918  0.285819  0.285034  1
  Mg  Mg4  1  0.359466  0.778930  0.311725  1
  Mg  Mg5  1  0.548724  0.157469  0.296078  1
  Mg  Mg6  1  0.794776  0.649541  0.323636  1
  Mg  Mg7  1  0.984330  0.028735  0.307909  1
  Mg  Mg8  1  0.230248  0.520481  0.335425  1
  Mg  Mg9  1  0.917715  0.895487  0.338096  1
  Mg  Mg10  1  0.163133  0.386263  0.364965  1
  Mg  Mg11  1  0.604532  0.269059  0.339710  1
  Mg  Mg12  1  0.850445  0.760890  0.366976  1
  Mg  Mg13  1  0.040308  0.140635  0.351184  1
  Mg  Mg14  1  0.286048  0.632093  0.378795  1
  Mg  Mg15  1  0.476070  0.012186  0.363022  1
  Mg  Mg16  1  0.721672  0.503347  0.390607  1
  Mg  Mg17  1  0.408805  0.877644  0.393062  1
  Mg  Mg18  1  0.654515  0.369035  0.420602  1
  Mg  Mg19  1  0.095994  0.251991  0.395076  1
  Mg  Mg20  1  0.341642  0.743286  0.422670  1
  Mg  Mg21  1  0.531694  0.123407  0.406826  1
  Mg  Mg22  1  0.777318  0.614642  0.434423  1
  Mg  Mg23  1  0.967334  0.994707  0.418599  1
  Mg  Mg24  1  0.212992  0.485995  0.446236  1
  Mg  Mg25  1  0.900107  0.860237  0.448641  1
  Mg  Mg26  1  0.145803  0.351617  0.476367  1
  Mg  Mg27  1  0.587317  0.234641  0.450807  1
  Mg  Mg28  1  0.832961  0.725923  0.478451  1
  Mg  Mg29  1  0.022979  0.105979  0.462566  1
  Mg  Mg30  1  0.268633  0.597273  0.490174  1
  Mg  Mg31  1  0.458636  0.977305  0.474291  1
  Mg  Mg32  1  0.704294  0.468604  0.501944  1
  Mg  Mg33  1  0.391450  0.842919  0.504317  1
  Mg  Mg34  1  0.637087  0.334189  0.532117  1
  Mg  Mg35  1  0.078603  0.217217  0.506538  1
  Mg  Mg36  1  0.324299  0.708595  0.534150  1
  Mg  Mg37  1  0.514277  0.088577  0.518314  1
  Mg  Mg38  1  0.759937  0.579879  0.545898  1
  Mg  Mg39  1  0.949953  0.959937  0.530023  1
  Mg  Mg40  1  0.195573  0.451163  0.557656  1
  Mg  Mg41  1  0.882777  0.825572  0.560042  1
  Mg  Mg42  1  0.128441  0.316900  0.587902  1
  Mg  Mg43  1  0.569928  0.199871  0.562267  1
  Mg  Mg44  1  0.815630  0.691248  0.589740  1
  Mg  Mg45  1  0.005583  0.071192  0.574083  1
  Mg  Mg46  1  0.251189  0.562377  0.601580  1
  Mg  Mg47  1  0.441242  0.942518  0.585781  1
  Mg  Mg48  1  0.687021  0.434058  0.613435  1
  Mg  Mg49  1  0.374029  0.808076  0.615756  1
  Mg  Mg50  1  0.619844  0.299709  0.643522  1
  Mg  Mg51  1  0.061252  0.182529  0.617902  1
  Mg  Mg52  1  0.306717  0.673400  0.644918  1
  Mg  Mg53  1  0.496838  0.053714  0.629717  1
  Mg  Mg54  1  0.742900  0.545786  0.657350  1
  Mg  Mg55  1  0.932444  0.924929  0.641267  1
  Mg  Mg56  1  0.178547  0.417109  0.668727  1
  Mg  Mg57  1  0.865106  0.790238  0.671181  1
  Mg  Mg58  1  0.111502  0.283043  0.698620  1
  Mg  Mg59  1  0.552702  0.165445  0.673088  1
  Mg  Mg60  1  0.799175  0.658211  0.700563  1
  Mg  Mg61  1  0.988140  0.036331  0.684810  1
  Mg  Mg62  1  0.234291  0.528538  0.712276  1
  Mg  Mg63  1  0.423849  0.907758  0.696080  1
  Mg  Mg64  1  0.670161  0.400341  0.723400  1
