# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40439201
_cell_length_b   10.83038252
_cell_length_c   47.71409976
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.17641209
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg84
_cell_volume   4336.39758896
_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  0.303867  0.624768  0.286550  1
  Mg  Mg2  1  0.653302  0.597790  0.307115  1
  Mg  Mg3  1  0.009597  0.567657  0.326616  1
  Mg  Mg4  1  0.454759  0.815776  0.329032  1
  Mg  Mg5  1  0.746162  0.870785  0.288386  1
  Mg  Mg6  1  0.099006  0.842340  0.308171  1
  Mg  Mg7  1  0.330894  0.080497  0.316719  1
  Mg  Mg8  1  0.686970  0.053921  0.337395  1
  Mg  Mg9  1  0.977820  0.108956  0.296563  1
  Mg  Mg10  1  0.563107  0.320698  0.325339  1
  Mg  Mg11  1  0.919166  0.293075  0.345700  1
  Mg  Mg12  1  0.210658  0.348216  0.304797  1
  Mg  Mg13  1  0.364054  0.539822  0.347770  1
  Mg  Mg14  1  0.719269  0.512576  0.368483  1
  Mg  Mg15  1  0.074094  0.484681  0.389013  1
  Mg  Mg16  1  0.520047  0.732337  0.390993  1
  Mg  Mg17  1  0.810286  0.787974  0.349654  1
  Mg  Mg18  1  0.164643  0.759606  0.369958  1
  Mg  Mg19  1  0.396329  0.998717  0.378746  1
  Mg  Mg20  1  0.751582  0.971052  0.399608  1
  Mg  Mg21  1  0.041612  0.026028  0.357844  1
  Mg  Mg22  1  0.628359  0.237276  0.387282  1
  Mg  Mg23  1  0.983359  0.209378  0.408068  1
  Mg  Mg24  1  0.273427  0.264379  0.366385  1
  Mg  Mg25  1  0.429344  0.456632  0.410087  1
  Mg  Mg26  1  0.784599  0.428999  0.431001  1
  Mg  Mg27  1  0.139533  0.401412  0.451802  1
  Mg  Mg28  1  0.585626  0.648968  0.453679  1
  Mg  Mg29  1  0.875410  0.704411  0.411939  1
  Mg  Mg30  1  0.230436  0.676705  0.432691  1
  Mg  Mg31  1  0.461995  0.915298  0.441409  1
  Mg  Mg32  1  0.817145  0.887602  0.462334  1
  Mg  Mg33  1  0.106789  0.942915  0.420438  1
  Mg  Mg34  1  0.693668  0.153901  0.450051  1
  Mg  Mg35  1  0.048745  0.126166  0.470905  1
  Mg  Mg36  1  0.338495  0.181582  0.429126  1
  Mg  Mg37  1  0.494820  0.373672  0.472833  1
  Mg  Mg38  1  0.849976  0.345999  0.493756  1
  Mg  Mg39  1  0.205018  0.318399  0.514606  1
  Mg  Mg40  1  0.651061  0.566018  0.516444  1
  Mg  Mg41  1  0.940829  0.621291  0.474624  1
  Mg  Mg42  1  0.295878  0.593664  0.495470  1
  Mg  Mg43  1  0.527494  0.832232  0.504179  1
  Mg  Mg44  1  0.882645  0.804578  0.525090  1
  Mg  Mg45  1  0.172327  0.859901  0.483218  1
  Mg  Mg46  1  0.759088  0.070835  0.512824  1
  Mg  Mg47  1  0.114183  0.043218  0.533684  1
  Mg  Mg48  1  0.403960  0.098465  0.491909  1
  Mg  Mg49  1  0.560279  0.290665  0.535622  1
  Mg  Mg50  1  0.915407  0.262995  0.556553  1
  Mg  Mg51  1  0.270506  0.235407  0.577384  1
  Mg  Mg52  1  0.716409  0.482998  0.579214  1
  Mg  Mg53  1  0.006231  0.538265  0.537379  1
  Mg  Mg54  1  0.361299  0.510623  0.558248  1
  Mg  Mg55  1  0.592973  0.749221  0.566966  1
  Mg  Mg56  1  0.948150  0.721375  0.587825  1
  Mg  Mg57  1  0.237823  0.776858  0.545984  1
  Mg  Mg58  1  0.824532  0.987805  0.575565  1
  Mg  Mg59  1  0.179657  0.960052  0.596343  1
  Mg  Mg60  1  0.469468  0.015471  0.554694  1
  Mg  Mg61  1  0.625889  0.207475  0.598444  1
  Mg  Mg62  1  0.980825  0.179601  0.619324  1
  Mg  Mg63  1  0.336002  0.151841  0.639849  1
  Mg  Mg64  1  0.781237  0.399831  0.641773  1
  Mg  Mg65  1  0.071620  0.454943  0.600179  1
  Mg  Mg66  1  0.426625  0.427540  0.621002  1
  Mg  Mg67  1  0.658481  0.666187  0.629703  1
  Mg  Mg68  1  0.013059  0.638052  0.650334  1
  Mg  Mg69  1  0.303359  0.693468  0.608724  1
  Mg  Mg70  1  0.890298  0.904594  0.638082  1
  Mg  Mg71  1  0.244701  0.876620  0.658563  1
  Mg  Mg72  1  0.535132  0.932202  0.617435  1
  Mg  Mg73  1  0.691114  0.124289  0.660862  1
  Mg  Mg74  1  0.046880  0.096736  0.681398  1
  Mg  Mg75  1  0.400034  0.066751  0.701263  1
  Mg  Mg76  1  0.845312  0.318106  0.703062  1
  Mg  Mg77  1  0.135905  0.371607  0.662473  1
  Mg  Mg78  1  0.490662  0.344159  0.682809  1
  Mg  Mg79  1  0.723097  0.582589  0.691437  1
  Mg  Mg80  1  0.076019  0.555125  0.711718  1
  Mg  Mg81  1  0.367587  0.611246  0.671016  1
  Mg  Mg82  1  0.955951  0.820251  0.699509  1
  Mg  Mg83  1  0.304970  0.793776  0.719913  1
  Mg  Mg84  1  0.599662  0.848897  0.679528  1
