# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.23787255
_cell_length_b   11.23419160
_cell_length_c   48.16263867
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg126
_cell_volume   6049.97804625
_cell_formula_units_Z   126
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  0.054474  0.388269  0.330954  1
  Mg  Mg2  1  0.387808  0.054936  0.330954  1
  Mg  Mg3  1  0.456162  0.456637  0.286365  1
  Mg  Mg4  1  0.721141  0.721602  0.330954  1
  Mg  Mg5  1  0.789495  0.123304  0.286365  1
  Mg  Mg6  1  0.745517  0.412649  0.306457  1
  Mg  Mg7  1  0.122828  0.789971  0.286365  1
  Mg  Mg8  1  0.078850  0.079316  0.306457  1
  Mg  Mg9  1  0.412184  0.745982  0.306457  1
  Mg  Mg10  1  0.975241  0.309085  0.275986  1
  Mg  Mg11  1  0.308575  0.975751  0.275986  1
  Mg  Mg12  1  0.263945  0.264437  0.296643  1
  Mg  Mg13  1  0.641908  0.642418  0.275986  1
  Mg  Mg14  1  0.597278  0.931104  0.296643  1
  Mg  Mg15  1  0.563482  0.230585  0.316733  1
  Mg  Mg16  1  0.930612  0.597770  0.296643  1
  Mg  Mg17  1  0.896815  0.897252  0.316733  1
  Mg  Mg18  1  0.230148  0.563919  0.316733  1
  Mg  Mg19  1  0.965725  0.299456  0.395679  1
  Mg  Mg20  1  0.299059  0.966123  0.395679  1
  Mg  Mg21  1  0.360153  0.360575  0.350998  1
  Mg  Mg22  1  0.632392  0.632789  0.395679  1
  Mg  Mg23  1  0.693486  0.027242  0.350998  1
  Mg  Mg24  1  0.660118  0.327193  0.372001  1
  Mg  Mg25  1  0.026820  0.693908  0.350998  1
  Mg  Mg26  1  0.993452  0.993859  0.372001  1
  Mg  Mg27  1  0.326785  0.660526  0.372001  1
  Mg  Mg28  1  0.875593  0.209370  0.340377  1
  Mg  Mg29  1  0.208926  0.876036  0.340377  1
  Mg  Mg30  1  0.176026  0.176453  0.361369  1
  Mg  Mg31  1  0.542260  0.542703  0.340377  1
  Mg  Mg32  1  0.509360  0.843119  0.361369  1
  Mg  Mg33  1  0.480825  0.147888  0.384756  1
  Mg  Mg34  1  0.842693  0.509786  0.361369  1
  Mg  Mg35  1  0.814159  0.814554  0.384756  1
  Mg  Mg36  1  0.147492  0.481221  0.384756  1
  Mg  Mg37  1  0.873347  0.207015  0.462814  1
  Mg  Mg38  1  0.206680  0.873682  0.462814  1
  Mg  Mg39  1  0.266749  0.267116  0.417670  1
  Mg  Mg40  1  0.540013  0.540349  0.462814  1
  Mg  Mg41  1  0.600082  0.933782  0.417670  1
  Mg  Mg42  1  0.570047  0.237065  0.440398  1
  Mg  Mg43  1  0.933416  0.600449  0.417670  1
  Mg  Mg44  1  0.903380  0.903731  0.440398  1
  Mg  Mg45  1  0.236714  0.570398  0.440398  1
  Mg  Mg46  1  0.783388  0.117103  0.406860  1
  Mg  Mg47  1  0.116721  0.783770  0.406860  1
  Mg  Mg48  1  0.084168  0.084531  0.428541  1
  Mg  Mg49  1  0.450055  0.450436  0.406860  1
  Mg  Mg50  1  0.417501  0.751197  0.428541  1
  Mg  Mg51  1  0.388463  0.055470  0.451520  1
  Mg  Mg52  1  0.750835  0.417864  0.428541  1
  Mg  Mg53  1  0.721796  0.722136  0.451520  1
  Mg  Mg54  1  0.055130  0.388803  0.451520  1
  Mg  Mg55  1  0.781102  0.114710  0.529742  1
  Mg  Mg56  1  0.114435  0.781377  0.529742  1
  Mg  Mg57  1  0.174818  0.175128  0.484671  1
  Mg  Mg58  1  0.447769  0.448043  0.529742  1
  Mg  Mg59  1  0.508151  0.841795  0.484671  1
  Mg  Mg60  1  0.478412  0.145370  0.507319  1
  Mg  Mg61  1  0.841484  0.508461  0.484671  1
  Mg  Mg62  1  0.811745  0.812037  0.507319  1
  Mg  Mg63  1  0.145079  0.478703  0.507319  1
  Mg  Mg64  1  0.690669  0.024323  0.473730  1
  Mg  Mg65  1  0.024002  0.690990  0.473730  1
  Mg  Mg66  1  0.993359  0.993663  0.496153  1
  Mg  Mg67  1  0.357335  0.357656  0.473730  1
  Mg  Mg68  1  0.326692  0.660330  0.496153  1
  Mg  Mg69  1  0.296953  0.963905  0.518801  1
  Mg  Mg70  1  0.660026  0.326996  0.496153  1
  Mg  Mg71  1  0.630287  0.630571  0.518801  1
  Mg  Mg72  1  0.963620  0.297238  0.518801  1
  Mg  Mg73  1  0.688383  0.021930  0.596612  1
  Mg  Mg74  1  0.021716  0.688596  0.596612  1
  Mg  Mg75  1  0.083308  0.083563  0.551952  1
  Mg  Mg76  1  0.355049  0.355263  0.596612  1
  Mg  Mg77  1  0.416641  0.750230  0.551952  1
  Mg  Mg78  1  0.387603  0.054502  0.574932  1
  Mg  Mg79  1  0.749975  0.416896  0.551952  1
  Mg  Mg80  1  0.720936  0.721169  0.574932  1
  Mg  Mg81  1  0.054270  0.387835  0.574932  1
  Mg  Mg82  1  0.598424  0.932017  0.540658  1
  Mg  Mg83  1  0.931757  0.598684  0.540658  1
  Mg  Mg84  1  0.901724  0.901968  0.563074  1
  Mg  Mg85  1  0.265091  0.265351  0.540658  1
  Mg  Mg86  1  0.235057  0.568635  0.563074  1
  Mg  Mg87  1  0.205022  0.871917  0.585802  1
  Mg  Mg88  1  0.568391  0.235301  0.563074  1
  Mg  Mg89  1  0.538355  0.538584  0.585802  1
  Mg  Mg90  1  0.871689  0.205250  0.585802  1
  Mg  Mg91  1  0.596178  0.929663  0.663095  1
  Mg  Mg92  1  0.929511  0.596330  0.663095  1
  Mg  Mg93  1  0.990946  0.991145  0.618716  1
  Mg  Mg94  1  0.262844  0.262996  0.663095  1
  Mg  Mg95  1  0.324279  0.657812  0.618716  1
  Mg  Mg96  1  0.295744  0.962580  0.642103  1
  Mg  Mg97  1  0.657612  0.324478  0.618716  1
  Mg  Mg98  1  0.629078  0.629247  0.642103  1
  Mg  Mg99  1  0.962411  0.295913  0.642103  1
  Mg  Mg100  1  0.506046  0.839577  0.607793  1
  Mg  Mg101  1  0.839379  0.506243  0.607793  1
  Mg  Mg102  1  0.811652  0.811840  0.631472  1
  Mg  Mg103  1  0.172712  0.172910  0.607793  1
  Mg  Mg104  1  0.144986  0.478507  0.631472  1
  Mg  Mg105  1  0.111618  0.778458  0.652475  1
  Mg  Mg106  1  0.478319  0.145173  0.631472  1
  Mg  Mg107  1  0.444951  0.445124  0.652475  1
  Mg  Mg108  1  0.778284  0.111791  0.652475  1
  Mg  Mg109  1  0.496529  0.829948  0.727486  1
  Mg  Mg110  1  0.829863  0.496615  0.727486  1
  Mg  Mg111  1  0.908289  0.908448  0.686739  1
  Mg  Mg112  1  0.163196  0.163281  0.727486  1
  Mg  Mg113  1  0.241622  0.575114  0.686739  1
  Mg  Mg114  1  0.207826  0.874596  0.706830  1
  Mg  Mg115  1  0.574956  0.241781  0.686739  1
  Mg  Mg116  1  0.541159  0.541263  0.706830  1
  Mg  Mg117  1  0.874493  0.207929  0.706830  1
  Mg  Mg118  1  0.417297  0.750764  0.672518  1
  Mg  Mg119  1  0.750630  0.417430  0.672518  1
  Mg  Mg120  1  0.726254  0.726384  0.697016  1
  Mg  Mg121  1  0.083963  0.084097  0.672518  1
  Mg  Mg122  1  0.059587  0.393050  0.697016  1
  Mg  Mg123  1  0.015609  0.682395  0.717107  1
  Mg  Mg124  1  0.392920  0.059717  0.697016  1
  Mg  Mg125  1  0.348942  0.349062  0.717107  1
  Mg  Mg126  1  0.682276  0.015729  0.717107  1
