# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.82980545
_cell_length_b   16.77458808
_cell_length_c   46.12382756
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.10646847
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg252
_cell_volume   12987.9289475
_cell_formula_units_Z   252
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  0.213755  0.729609  0.322836  1
  Mg  Mg2  1  0.224586  0.372098  0.342700  1
  Mg  Mg3  1  0.372731  0.419136  0.302653  1
  Mg  Mg4  1  0.547089  0.396276  0.322836  1
  Mg  Mg5  1  0.206064  0.085802  0.302653  1
  Mg  Mg6  1  0.380422  0.062943  0.322836  1
  Mg  Mg7  1  0.391253  0.705431  0.342700  1
  Mg  Mg8  1  0.539397  0.752469  0.302653  1
  Mg  Mg9  1  0.713755  0.729609  0.322836  1
  Mg  Mg10  1  0.724586  0.372098  0.342700  1
  Mg  Mg11  1  0.872731  0.419136  0.302653  1
  Mg  Mg12  1  0.047089  0.396276  0.322836  1
  Mg  Mg13  1  0.557919  0.038764  0.342700  1
  Mg  Mg14  1  0.706064  0.085802  0.302653  1
  Mg  Mg15  1  0.880422  0.062943  0.322836  1
  Mg  Mg16  1  0.891253  0.705431  0.342700  1
  Mg  Mg17  1  0.039397  0.752469  0.302653  1
  Mg  Mg18  1  0.057919  0.038764  0.342700  1
  Mg  Mg19  1  0.261973  0.912030  0.310198  1
  Mg  Mg20  1  0.273243  0.553771  0.329130  1
  Mg  Mg21  1  0.423889  0.599796  0.289690  1
  Mg  Mg22  1  0.595306  0.578696  0.310198  1
  Mg  Mg23  1  0.257223  0.266462  0.289690  1
  Mg  Mg24  1  0.428640  0.245363  0.310198  1
  Mg  Mg25  1  0.439910  0.887104  0.329130  1
  Mg  Mg26  1  0.590556  0.933129  0.289690  1
  Mg  Mg27  1  0.761973  0.912030  0.310198  1
  Mg  Mg28  1  0.773243  0.553771  0.329130  1
  Mg  Mg29  1  0.923889  0.599796  0.289690  1
  Mg  Mg30  1  0.095306  0.578696  0.310198  1
  Mg  Mg31  1  0.606577  0.220437  0.329130  1
  Mg  Mg32  1  0.757223  0.266462  0.289690  1
  Mg  Mg33  1  0.928640  0.245363  0.310198  1
  Mg  Mg34  1  0.939910  0.887104  0.329130  1
  Mg  Mg35  1  0.090556  0.933129  0.289690  1
  Mg  Mg36  1  0.106577  0.220437  0.329130  1
  Mg  Mg37  1  0.244194  0.659047  0.384021  1
  Mg  Mg38  1  0.254224  0.302886  0.405153  1
  Mg  Mg39  1  0.400695  0.349248  0.363690  1
  Mg  Mg40  1  0.577527  0.325714  0.384021  1
  Mg  Mg41  1  0.234028  0.015915  0.363690  1
  Mg  Mg42  1  0.410861  0.992380  0.384021  1
  Mg  Mg43  1  0.420891  0.636219  0.405153  1
  Mg  Mg44  1  0.567362  0.682582  0.363690  1
  Mg  Mg45  1  0.744194  0.659047  0.384021  1
  Mg  Mg46  1  0.754224  0.302886  0.405153  1
  Mg  Mg47  1  0.900695  0.349248  0.363690  1
  Mg  Mg48  1  0.077527  0.325714  0.384021  1
  Mg  Mg49  1  0.587558  0.969553  0.405153  1
  Mg  Mg50  1  0.734028  0.015915  0.363690  1
  Mg  Mg51  1  0.910861  0.992380  0.384021  1
  Mg  Mg52  1  0.920891  0.636219  0.405153  1
  Mg  Mg53  1  0.067362  0.682582  0.363690  1
  Mg  Mg54  1  0.087558  0.969553  0.405153  1
  Mg  Mg55  1  0.293084  0.841288  0.370855  1
  Mg  Mg56  1  0.302946  0.484821  0.391228  1
  Mg  Mg57  1  0.449612  0.531064  0.350361  1
  Mg  Mg58  1  0.626417  0.507955  0.370855  1
  Mg  Mg59  1  0.282946  0.197731  0.350361  1
  Mg  Mg60  1  0.459751  0.174621  0.370855  1
  Mg  Mg61  1  0.469613  0.818154  0.391228  1
  Mg  Mg62  1  0.616279  0.864397  0.350361  1
  Mg  Mg63  1  0.793084  0.841288  0.370855  1
  Mg  Mg64  1  0.802946  0.484821  0.391228  1
  Mg  Mg65  1  0.949612  0.531064  0.350361  1
  Mg  Mg66  1  0.126417  0.507955  0.370855  1
  Mg  Mg67  1  0.636280  0.151487  0.391228  1
  Mg  Mg68  1  0.782946  0.197731  0.350361  1
  Mg  Mg69  1  0.959751  0.174621  0.370855  1
  Mg  Mg70  1  0.969613  0.818154  0.391228  1
  Mg  Mg71  1  0.116279  0.864397  0.350361  1
  Mg  Mg72  1  0.136280  0.151487  0.391228  1
  Mg  Mg73  1  0.274791  0.589400  0.447099  1
  Mg  Mg74  1  0.285115  0.233013  0.468117  1
  Mg  Mg75  1  0.431348  0.279405  0.426257  1
  Mg  Mg76  1  0.608124  0.256067  0.447099  1
  Mg  Mg77  1  0.264681  0.946072  0.426257  1
  Mg  Mg78  1  0.441457  0.922734  0.447099  1
  Mg  Mg79  1  0.451782  0.566346  0.468117  1
  Mg  Mg80  1  0.598014  0.612739  0.426257  1
  Mg  Mg81  1  0.774791  0.589400  0.447099  1
  Mg  Mg82  1  0.785115  0.233013  0.468117  1
  Mg  Mg83  1  0.931348  0.279405  0.426257  1
  Mg  Mg84  1  0.108124  0.256067  0.447099  1
  Mg  Mg85  1  0.618448  0.899680  0.468117  1
  Mg  Mg86  1  0.764681  0.946072  0.426257  1
  Mg  Mg87  1  0.941457  0.922734  0.447099  1
  Mg  Mg88  1  0.951782  0.566346  0.468117  1
  Mg  Mg89  1  0.098014  0.612739  0.426257  1
  Mg  Mg90  1  0.118448  0.899680  0.468117  1
  Mg  Mg91  1  0.323463  0.771288  0.433301  1
  Mg  Mg92  1  0.333728  0.415071  0.454203  1
  Mg  Mg93  1  0.480095  0.461295  0.412446  1
  Mg  Mg94  1  0.656796  0.437955  0.433301  1
  Mg  Mg95  1  0.313428  0.127962  0.412446  1
  Mg  Mg96  1  0.490130  0.104621  0.433301  1
  Mg  Mg97  1  0.500395  0.748404  0.454203  1
  Mg  Mg98  1  0.646761  0.794629  0.412446  1
  Mg  Mg99  1  0.823463  0.771288  0.433301  1
  Mg  Mg100  1  0.833728  0.415071  0.454203  1
  Mg  Mg101  1  0.980095  0.461295  0.412446  1
  Mg  Mg102  1  0.156796  0.437955  0.433301  1
  Mg  Mg103  1  0.667062  0.081737  0.454203  1
  Mg  Mg104  1  0.813428  0.127962  0.412446  1
  Mg  Mg105  1  0.990130  0.104621  0.433301  1
  Mg  Mg106  1  1.000395  0.748404  0.454203  1
  Mg  Mg107  1  0.146761  0.794629  0.412446  1
  Mg  Mg108  1  0.167062  0.081737  0.454203  1
  Mg  Mg109  1  0.305590  0.519991  0.510116  1
  Mg  Mg110  1  0.315808  0.163503  0.531070  1
  Mg  Mg111  1  0.462039  0.209684  0.489188  1
  Mg  Mg112  1  0.638924  0.186657  0.510116  1
  Mg  Mg113  1  0.295372  0.876351  0.489188  1
  Mg  Mg114  1  0.472257  0.853324  0.510116  1
  Mg  Mg115  1  0.482475  0.496836  0.531070  1
  Mg  Mg116  1  0.628705  0.543017  0.489188  1
  Mg  Mg117  1  0.805590  0.519991  0.510116  1
  Mg  Mg118  1  0.815808  0.163503  0.531070  1
  Mg  Mg119  1  0.962039  0.209684  0.489188  1
  Mg  Mg120  1  0.138924  0.186657  0.510116  1
  Mg  Mg121  1  0.649142  0.830169  0.531070  1
  Mg  Mg122  1  0.795372  0.876351  0.489188  1
  Mg  Mg123  1  0.972257  0.853324  0.510116  1
  Mg  Mg124  1  0.982475  0.496836  0.531070  1
  Mg  Mg125  1  0.128705  0.543017  0.489188  1
  Mg  Mg126  1  0.149142  0.830169  0.531070  1
  Mg  Mg127  1  0.354273  0.701893  0.496256  1
  Mg  Mg128  1  0.364491  0.345533  0.517184  1
  Mg  Mg129  1  0.510722  0.391714  0.475302  1
  Mg  Mg130  1  0.687606  0.368559  0.496256  1
  Mg  Mg131  1  0.344055  0.058381  0.475302  1
  Mg  Mg132  1  0.520939  0.035226  0.496256  1
  Mg  Mg133  1  0.531158  0.678866  0.517184  1
  Mg  Mg134  1  0.677388  0.725047  0.475302  1
  Mg  Mg135  1  0.854273  0.701893  0.496256  1
  Mg  Mg136  1  0.864491  0.345533  0.517184  1
  Mg  Mg137  1  0.010722  0.391714  0.475302  1
  Mg  Mg138  1  0.187606  0.368559  0.496256  1
  Mg  Mg139  1  0.697824  0.012199  0.517184  1
  Mg  Mg140  1  0.844055  0.058381  0.475302  1
  Mg  Mg141  1  0.020939  0.035226  0.496256  1
  Mg  Mg142  1  0.031158  0.678866  0.517184  1
  Mg  Mg143  1  0.177388  0.725047  0.475302  1
  Mg  Mg144  1  0.197824  0.012199  0.517184  1
  Mg  Mg145  1  0.336400  0.450595  0.573071  1
  Mg  Mg146  1  0.346435  0.093921  0.593927  1
  Mg  Mg147  1  0.492801  0.140146  0.552169  1
  Mg  Mg148  1  0.669733  0.117262  0.573071  1
  Mg  Mg149  1  0.326135  0.806813  0.552169  1
  Mg  Mg150  1  0.503067  0.783929  0.573071  1
  Mg  Mg151  1  0.513102  0.427254  0.593927  1
  Mg  Mg152  1  0.659468  0.473479  0.552169  1
  Mg  Mg153  1  0.836400  0.450595  0.573071  1
  Mg  Mg154  1  0.846435  0.093921  0.593927  1
  Mg  Mg155  1  0.992801  0.140146  0.552169  1
  Mg  Mg156  1  0.169733  0.117262  0.573071  1
  Mg  Mg157  1  0.679768  0.760588  0.593927  1
  Mg  Mg158  1  0.826135  0.806813  0.552169  1
  Mg  Mg159  1  0.003067  0.783929  0.573071  1
  Mg  Mg160  1  0.013102  0.427254  0.593927  1
  Mg  Mg161  1  0.159468  0.473479  0.552169  1
  Mg  Mg162  1  0.179768  0.760588  0.593927  1
  Mg  Mg163  1  0.385073  0.632483  0.559273  1
  Mg  Mg164  1  0.395182  0.275811  0.580115  1
  Mg  Mg165  1  0.541415  0.322203  0.538255  1
  Mg  Mg166  1  0.718406  0.299150  0.559273  1
  Mg  Mg167  1  0.374748  0.988870  0.538255  1
  Mg  Mg168  1  0.551739  0.965816  0.559273  1
  Mg  Mg169  1  0.561849  0.609145  0.580115  1
  Mg  Mg170  1  0.708081  0.655537  0.538255  1
  Mg  Mg171  1  0.885073  0.632483  0.559273  1
  Mg  Mg172  1  0.895182  0.275811  0.580115  1
  Mg  Mg173  1  0.041415  0.322203  0.538255  1
  Mg  Mg174  1  0.218406  0.299150  0.559273  1
  Mg  Mg175  1  0.728515  0.942478  0.580115  1
  Mg  Mg176  1  0.874748  0.988870  0.538255  1
  Mg  Mg177  1  0.051739  0.965816  0.559273  1
  Mg  Mg178  1  0.061849  0.609145  0.580115  1
  Mg  Mg179  1  0.208081  0.655537  0.538255  1
  Mg  Mg180  1  0.228515  0.942478  0.580115  1
  Mg  Mg181  1  0.366779  0.380595  0.635517  1
  Mg  Mg182  1  0.376917  0.024153  0.656011  1
  Mg  Mg183  1  0.523583  0.070396  0.615144  1
  Mg  Mg184  1  0.700113  0.047262  0.635517  1
  Mg  Mg185  1  0.356917  0.737063  0.615144  1
  Mg  Mg186  1  0.533446  0.713929  0.635517  1
  Mg  Mg187  1  0.543584  0.357486  0.656011  1
  Mg  Mg188  1  0.690250  0.403729  0.615144  1
  Mg  Mg189  1  0.866779  0.380595  0.635517  1
  Mg  Mg190  1  0.876917  0.024153  0.656011  1
  Mg  Mg191  1  0.023583  0.070396  0.615144  1
  Mg  Mg192  1  0.200113  0.047262  0.635517  1
  Mg  Mg193  1  0.710251  0.690819  0.656011  1
  Mg  Mg194  1  0.856917  0.737063  0.615144  1
  Mg  Mg195  1  0.033446  0.713929  0.635517  1
  Mg  Mg196  1  0.043584  0.357486  0.656011  1
  Mg  Mg197  1  0.190250  0.403729  0.615144  1
  Mg  Mg198  1  0.210251  0.690819  0.656011  1
  Mg  Mg199  1  0.415669  0.562836  0.622351  1
  Mg  Mg200  1  0.425835  0.205968  0.642682  1
  Mg  Mg201  1  0.572305  0.252331  0.601220  1
  Mg  Mg202  1  0.749002  0.229503  0.622351  1
  Mg  Mg203  1  0.405639  0.918997  0.601220  1
  Mg  Mg204  1  0.582336  0.896170  0.622351  1
  Mg  Mg205  1  0.592501  0.539302  0.642682  1
  Mg  Mg206  1  0.738972  0.585664  0.601220  1
  Mg  Mg207  1  0.915669  0.562836  0.622351  1
  Mg  Mg208  1  0.925835  0.205968  0.642682  1
  Mg  Mg209  1  0.072305  0.252331  0.601220  1
  Mg  Mg210  1  0.249002  0.229503  0.622351  1
  Mg  Mg211  1  0.759168  0.872635  0.642682  1
  Mg  Mg212  1  0.905639  0.918997  0.601220  1
  Mg  Mg213  1  0.082336  0.896170  0.622351  1
  Mg  Mg214  1  0.092501  0.539302  0.642682  1
  Mg  Mg215  1  0.238972  0.585664  0.601220  1
  Mg  Mg216  1  0.259168  0.872635  0.642682  1
  Mg  Mg217  1  0.397890  0.309854  0.696175  1
  Mg  Mg218  1  0.402640  0.955421  0.716682  1
  Mg  Mg219  1  0.553286  0.001446  0.677242  1
  Mg  Mg220  1  0.731223  0.976520  0.696175  1
  Mg  Mg221  1  0.386620  0.668113  0.677242  1
  Mg  Mg222  1  0.564557  0.643187  0.696175  1
  Mg  Mg223  1  0.569307  0.288754  0.716682  1
  Mg  Mg224  1  0.719953  0.334779  0.677242  1
  Mg  Mg225  1  0.897890  0.309854  0.696175  1
  Mg  Mg226  1  0.902640  0.955421  0.716682  1
  Mg  Mg227  1  0.053286  0.001446  0.677242  1
  Mg  Mg228  1  0.231223  0.976520  0.696175  1
  Mg  Mg229  1  0.735974  0.622088  0.716682  1
  Mg  Mg230  1  0.886620  0.668113  0.677242  1
  Mg  Mg231  1  0.064557  0.643187  0.696175  1
  Mg  Mg232  1  0.069307  0.288754  0.716682  1
  Mg  Mg233  1  0.219953  0.334779  0.677242  1
  Mg  Mg234  1  0.235974  0.622088  0.716682  1
  Mg  Mg235  1  0.446108  0.492274  0.683536  1
  Mg  Mg236  1  0.453799  0.136081  0.703719  1
  Mg  Mg237  1  0.601944  0.183119  0.663672  1
  Mg  Mg238  1  0.779441  0.158941  0.683536  1
  Mg  Mg239  1  0.435277  0.849786  0.663672  1
  Mg  Mg240  1  0.612774  0.825607  0.683536  1
  Mg  Mg241  1  0.620466  0.469414  0.703719  1
  Mg  Mg242  1  0.768610  0.516452  0.663672  1
  Mg  Mg243  1  0.946108  0.492274  0.683536  1
  Mg  Mg244  1  0.953799  0.136081  0.703719  1
  Mg  Mg245  1  0.101944  0.183119  0.663672  1
  Mg  Mg246  1  0.279441  0.158941  0.683536  1
  Mg  Mg247  1  0.787132  0.802748  0.703719  1
  Mg  Mg248  1  0.935277  0.849786  0.663672  1
  Mg  Mg249  1  0.112774  0.825607  0.683536  1
  Mg  Mg250  1  0.120466  0.469414  0.703719  1
  Mg  Mg251  1  0.268610  0.516452  0.663672  1
  Mg  Mg252  1  0.287132  0.802748  0.703719  1
