# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.80003006
_cell_length_b   16.80268554
_cell_length_c   46.53095884
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.11766774
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg252
_cell_volume   13101.115086
_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  0.219189  0.726237  0.318627  1
  Mg  Mg2  1  0.227277  0.370287  0.340931  1
  Mg  Mg3  1  0.374910  0.417129  0.299046  1
  Mg  Mg4  1  0.552523  0.392904  0.318627  1
  Mg  Mg5  1  0.208243  0.083795  0.299046  1
  Mg  Mg6  1  0.385856  0.059571  0.318627  1
  Mg  Mg7  1  0.393944  0.703620  0.340931  1
  Mg  Mg8  1  0.541576  0.750462  0.299046  1
  Mg  Mg9  1  0.719189  0.726237  0.318627  1
  Mg  Mg10  1  0.727277  0.370287  0.340931  1
  Mg  Mg11  1  0.874910  0.417129  0.299046  1
  Mg  Mg12  1  0.052523  0.392904  0.318627  1
  Mg  Mg13  1  0.560610  0.036953  0.340931  1
  Mg  Mg14  1  0.708243  0.083795  0.299046  1
  Mg  Mg15  1  0.885856  0.059571  0.318627  1
  Mg  Mg16  1  0.893944  0.703620  0.340931  1
  Mg  Mg17  1  0.041576  0.750462  0.299046  1
  Mg  Mg18  1  0.060610  0.036953  0.340931  1
  Mg  Mg19  1  0.264077  0.906918  0.305797  1
  Mg  Mg20  1  0.272234  0.548805  0.326699  1
  Mg  Mg21  1  0.420550  0.600409  0.287796  1
  Mg  Mg22  1  0.597411  0.573585  0.305797  1
  Mg  Mg23  1  0.253883  0.267076  0.287796  1
  Mg  Mg24  1  0.430744  0.240252  0.305797  1
  Mg  Mg25  1  0.438901  0.882138  0.326699  1
  Mg  Mg26  1  0.587216  0.933743  0.287796  1
  Mg  Mg27  1  0.764077  0.906918  0.305797  1
  Mg  Mg28  1  0.772234  0.548805  0.326699  1
  Mg  Mg29  1  0.920550  0.600409  0.287796  1
  Mg  Mg30  1  0.097411  0.573585  0.305797  1
  Mg  Mg31  1  0.605567  0.215471  0.326699  1
  Mg  Mg32  1  0.753883  0.267076  0.287796  1
  Mg  Mg33  1  0.930744  0.240252  0.305797  1
  Mg  Mg34  1  0.938901  0.882138  0.326699  1
  Mg  Mg35  1  0.087216  0.933743  0.287796  1
  Mg  Mg36  1  0.105567  0.215471  0.326699  1
  Mg  Mg37  1  0.247247  0.656306  0.381358  1
  Mg  Mg38  1  0.257686  0.300075  0.402734  1
  Mg  Mg39  1  0.404351  0.346778  0.360552  1
  Mg  Mg40  1  0.580581  0.322973  0.381358  1
  Mg  Mg41  1  0.237684  0.013444  0.360552  1
  Mg  Mg42  1  0.413914  0.989640  0.381358  1
  Mg  Mg43  1  0.424353  0.633409  0.402734  1
  Mg  Mg44  1  0.571017  0.680111  0.360552  1
  Mg  Mg45  1  0.747247  0.656306  0.381358  1
  Mg  Mg46  1  0.757686  0.300075  0.402734  1
  Mg  Mg47  1  0.904351  0.346778  0.360552  1
  Mg  Mg48  1  0.080581  0.322973  0.381358  1
  Mg  Mg49  1  0.591019  0.966742  0.402734  1
  Mg  Mg50  1  0.737684  0.013444  0.360552  1
  Mg  Mg51  1  0.913914  0.989640  0.381358  1
  Mg  Mg52  1  0.924353  0.633409  0.402734  1
  Mg  Mg53  1  0.071017  0.680111  0.360552  1
  Mg  Mg54  1  0.091019  0.966742  0.402734  1
  Mg  Mg55  1  0.293590  0.838957  0.368623  1
  Mg  Mg56  1  0.305392  0.482143  0.389008  1
  Mg  Mg57  1  0.451266  0.528462  0.348055  1
  Mg  Mg58  1  0.626923  0.505624  0.368623  1
  Mg  Mg59  1  0.284599  0.195129  0.348055  1
  Mg  Mg60  1  0.460256  0.172291  0.368623  1
  Mg  Mg61  1  0.472059  0.815477  0.389008  1
  Mg  Mg62  1  0.617932  0.861795  0.348055  1
  Mg  Mg63  1  0.793590  0.838957  0.368623  1
  Mg  Mg64  1  0.805392  0.482143  0.389008  1
  Mg  Mg65  1  0.951266  0.528462  0.348055  1
  Mg  Mg66  1  0.126923  0.505624  0.368623  1
  Mg  Mg67  1  0.638725  0.148810  0.389008  1
  Mg  Mg68  1  0.784599  0.195129  0.348055  1
  Mg  Mg69  1  0.960256  0.172291  0.368623  1
  Mg  Mg70  1  0.972059  0.815477  0.389008  1
  Mg  Mg71  1  0.117932  0.861795  0.348055  1
  Mg  Mg72  1  0.138725  0.148810  0.389008  1
  Mg  Mg73  1  0.277643  0.586659  0.444420  1
  Mg  Mg74  1  0.287902  0.229864  0.465457  1
  Mg  Mg75  1  0.434103  0.276772  0.423622  1
  Mg  Mg76  1  0.610976  0.253325  0.444420  1
  Mg  Mg77  1  0.267436  0.943439  0.423622  1
  Mg  Mg78  1  0.444310  0.919992  0.444420  1
  Mg  Mg79  1  0.454569  0.563197  0.465457  1
  Mg  Mg80  1  0.600769  0.610105  0.423622  1
  Mg  Mg81  1  0.777643  0.586659  0.444420  1
  Mg  Mg82  1  0.787902  0.229864  0.465457  1
  Mg  Mg83  1  0.934103  0.276772  0.423622  1
  Mg  Mg84  1  0.110976  0.253325  0.444420  1
  Mg  Mg85  1  0.621235  0.896531  0.465457  1
  Mg  Mg86  1  0.767436  0.943439  0.423622  1
  Mg  Mg87  1  0.944310  0.919992  0.444420  1
  Mg  Mg88  1  0.954569  0.563197  0.465457  1
  Mg  Mg89  1  0.100769  0.610105  0.423622  1
  Mg  Mg90  1  0.121235  0.896531  0.465457  1
  Mg  Mg91  1  0.325755  0.768429  0.430719  1
  Mg  Mg92  1  0.335972  0.412044  0.451742  1
  Mg  Mg93  1  0.481995  0.458063  0.410013  1
  Mg  Mg94  1  0.659089  0.435095  0.430719  1
  Mg  Mg95  1  0.315328  0.124729  0.410013  1
  Mg  Mg96  1  0.492422  0.101762  0.430719  1
  Mg  Mg97  1  0.502639  0.745378  0.451742  1
  Mg  Mg98  1  0.648662  0.791396  0.410013  1
  Mg  Mg99  1  0.825755  0.768429  0.430719  1
  Mg  Mg100  1  0.835972  0.412044  0.451742  1
  Mg  Mg101  1  0.981995  0.458063  0.410013  1
  Mg  Mg102  1  0.159089  0.435095  0.430719  1
  Mg  Mg103  1  0.669305  0.078711  0.451742  1
  Mg  Mg104  1  0.815328  0.124729  0.410013  1
  Mg  Mg105  1  0.992422  0.101762  0.430719  1
  Mg  Mg106  1  1.002639  0.745378  0.451742  1
  Mg  Mg107  1  0.148662  0.791396  0.410013  1
  Mg  Mg108  1  0.169305  0.078711  0.451742  1
  Mg  Mg109  1  0.308299  0.516601  0.507299  1
  Mg  Mg110  1  0.318512  0.159883  0.528175  1
  Mg  Mg111  1  0.464777  0.206499  0.486343  1
  Mg  Mg112  1  0.641633  0.183267  0.507299  1
  Mg  Mg113  1  0.298110  0.873166  0.486343  1
  Mg  Mg114  1  0.474966  0.849934  0.507299  1
  Mg  Mg115  1  0.485178  0.493216  0.528175  1
  Mg  Mg116  1  0.631443  0.539833  0.486343  1
  Mg  Mg117  1  0.808299  0.516601  0.507299  1
  Mg  Mg118  1  0.818512  0.159883  0.528175  1
  Mg  Mg119  1  0.964777  0.206499  0.486343  1
  Mg  Mg120  1  0.141633  0.183267  0.507299  1
  Mg  Mg121  1  0.651845  0.826549  0.528175  1
  Mg  Mg122  1  0.798110  0.873166  0.486343  1
  Mg  Mg123  1  0.974966  0.849934  0.507299  1
  Mg  Mg124  1  0.985178  0.493216  0.528175  1
  Mg  Mg125  1  0.131443  0.539833  0.486343  1
  Mg  Mg126  1  0.151845  0.826549  0.528175  1
  Mg  Mg127  1  0.356565  0.698481  0.493516  1
  Mg  Mg128  1  0.366754  0.341916  0.514472  1
  Mg  Mg129  1  0.513019  0.388533  0.472640  1
  Mg  Mg130  1  0.689898  0.365148  0.493516  1
  Mg  Mg131  1  0.346353  0.055199  0.472640  1
  Mg  Mg132  1  0.523232  0.031815  0.493516  1
  Mg  Mg133  1  0.533421  0.675250  0.514472  1
  Mg  Mg134  1  0.679686  0.721866  0.472640  1
  Mg  Mg135  1  0.856565  0.698481  0.493516  1
  Mg  Mg136  1  0.866754  0.341916  0.514472  1
  Mg  Mg137  1  0.013019  0.388533  0.472640  1
  Mg  Mg138  1  0.189898  0.365148  0.493516  1
  Mg  Mg139  1  0.700088  0.008583  0.514472  1
  Mg  Mg140  1  0.846353  0.055199  0.472640  1
  Mg  Mg141  1  0.023232  0.031815  0.493516  1
  Mg  Mg142  1  0.033421  0.675250  0.514472  1
  Mg  Mg143  1  0.179686  0.721866  0.472640  1
  Mg  Mg144  1  0.200088  0.008583  0.514472  1
  Mg  Mg145  1  0.339109  0.446653  0.570096  1
  Mg  Mg146  1  0.349536  0.090353  0.590802  1
  Mg  Mg147  1  0.495559  0.136371  0.549073  1
  Mg  Mg148  1  0.672442  0.113320  0.570096  1
  Mg  Mg149  1  0.328892  0.803038  0.549073  1
  Mg  Mg150  1  0.505775  0.779987  0.570096  1
  Mg  Mg151  1  0.516202  0.423686  0.590802  1
  Mg  Mg152  1  0.662226  0.469704  0.549073  1
  Mg  Mg153  1  0.839109  0.446653  0.570096  1
  Mg  Mg154  1  0.849536  0.090353  0.590802  1
  Mg  Mg155  1  0.995559  0.136371  0.549073  1
  Mg  Mg156  1  0.172442  0.113320  0.570096  1
  Mg  Mg157  1  0.682869  0.757019  0.590802  1
  Mg  Mg158  1  0.828892  0.803038  0.549073  1
  Mg  Mg159  1  0.005775  0.779987  0.570096  1
  Mg  Mg160  1  0.016202  0.423686  0.590802  1
  Mg  Mg161  1  0.162226  0.469704  0.549073  1
  Mg  Mg162  1  0.182869  0.757019  0.590802  1
  Mg  Mg163  1  0.387221  0.628423  0.556395  1
  Mg  Mg164  1  0.397428  0.271643  0.577193  1
  Mg  Mg165  1  0.543629  0.318551  0.535359  1
  Mg  Mg166  1  0.720554  0.295090  0.556395  1
  Mg  Mg167  1  0.376962  0.985218  0.535359  1
  Mg  Mg168  1  0.553888  0.961757  0.556395  1
  Mg  Mg169  1  0.564095  0.604977  0.577193  1
  Mg  Mg170  1  0.710296  0.651885  0.535359  1
  Mg  Mg171  1  0.887221  0.628423  0.556395  1
  Mg  Mg172  1  0.897428  0.271643  0.577193  1
  Mg  Mg173  1  0.043629  0.318551  0.535359  1
  Mg  Mg174  1  0.220554  0.295090  0.556395  1
  Mg  Mg175  1  0.730761  0.938310  0.577193  1
  Mg  Mg176  1  0.876962  0.985218  0.535359  1
  Mg  Mg177  1  0.053888  0.961757  0.556395  1
  Mg  Mg178  1  0.064095  0.604977  0.577193  1
  Mg  Mg179  1  0.210296  0.651885  0.535359  1
  Mg  Mg180  1  0.230761  0.938310  0.577193  1
  Mg  Mg181  1  0.371275  0.376125  0.632192  1
  Mg  Mg182  1  0.380265  0.019954  0.652760  1
  Mg  Mg183  1  0.526139  0.066272  0.611807  1
  Mg  Mg184  1  0.704608  0.042792  0.632192  1
  Mg  Mg185  1  0.359472  0.732939  0.611807  1
  Mg  Mg186  1  0.537941  0.709458  0.632192  1
  Mg  Mg187  1  0.546932  0.353287  0.652760  1
  Mg  Mg188  1  0.692805  0.399606  0.611807  1
  Mg  Mg189  1  0.871275  0.376125  0.632192  1
  Mg  Mg190  1  0.880265  0.019954  0.652760  1
  Mg  Mg191  1  0.026139  0.066272  0.611807  1
  Mg  Mg192  1  0.204608  0.042792  0.632192  1
  Mg  Mg193  1  0.713599  0.686620  0.652760  1
  Mg  Mg194  1  0.859472  0.732939  0.611807  1
  Mg  Mg195  1  0.037941  0.709458  0.632192  1
  Mg  Mg196  1  0.046932  0.353287  0.652760  1
  Mg  Mg197  1  0.192805  0.399606  0.611807  1
  Mg  Mg198  1  0.213599  0.686620  0.652760  1
  Mg  Mg199  1  0.417617  0.558776  0.619457  1
  Mg  Mg200  1  0.427180  0.201638  0.640263  1
  Mg  Mg201  1  0.573845  0.248340  0.598081  1
  Mg  Mg202  1  0.750950  0.225442  0.619457  1
  Mg  Mg203  1  0.407178  0.915007  0.598081  1
  Mg  Mg204  1  0.584283  0.892109  0.619457  1
  Mg  Mg205  1  0.593847  0.534971  0.640263  1
  Mg  Mg206  1  0.740512  0.581674  0.598081  1
  Mg  Mg207  1  0.917617  0.558776  0.619457  1
  Mg  Mg208  1  0.927180  0.201638  0.640263  1
  Mg  Mg209  1  0.073845  0.248340  0.598081  1
  Mg  Mg210  1  0.250950  0.225442  0.619457  1
  Mg  Mg211  1  0.760514  0.868304  0.640263  1
  Mg  Mg212  1  0.907178  0.915007  0.598081  1
  Mg  Mg213  1  0.084283  0.892109  0.619457  1
  Mg  Mg214  1  0.093847  0.534971  0.640263  1
  Mg  Mg215  1  0.240512  0.581674  0.598081  1
  Mg  Mg216  1  0.260514  0.868304  0.640263  1
  Mg  Mg217  1  0.400787  0.308164  0.695018  1
  Mg  Mg218  1  0.410981  0.948006  0.713020  1
  Mg  Mg219  1  0.559297  0.999611  0.674116  1
  Mg  Mg220  1  0.734120  0.974830  0.695018  1
  Mg  Mg221  1  0.392630  0.666277  0.674116  1
  Mg  Mg222  1  0.567453  0.641497  0.695018  1
  Mg  Mg223  1  0.577648  0.281339  0.713020  1
  Mg  Mg224  1  0.725964  0.332944  0.674116  1
  Mg  Mg225  1  0.900787  0.308164  0.695018  1
  Mg  Mg226  1  0.910981  0.948006  0.713020  1
  Mg  Mg227  1  0.059297  0.999611  0.674116  1
  Mg  Mg228  1  0.234120  0.974830  0.695018  1
  Mg  Mg229  1  0.744314  0.614673  0.713020  1
  Mg  Mg230  1  0.892630  0.666277  0.674116  1
  Mg  Mg231  1  0.067453  0.641497  0.695018  1
  Mg  Mg232  1  0.077648  0.281339  0.713020  1
  Mg  Mg233  1  0.225964  0.332944  0.674116  1
  Mg  Mg234  1  0.244314  0.614673  0.713020  1
  Mg  Mg235  1  0.445675  0.488845  0.682188  1
  Mg  Mg236  1  0.456621  0.131287  0.701770  1
  Mg  Mg237  1  0.604254  0.178129  0.659884  1
  Mg  Mg238  1  0.779008  0.155511  0.682188  1
  Mg  Mg239  1  0.437587  0.844796  0.659884  1
  Mg  Mg240  1  0.612341  0.822178  0.682188  1
  Mg  Mg241  1  0.623288  0.464620  0.701770  1
  Mg  Mg242  1  0.770921  0.511462  0.659884  1
  Mg  Mg243  1  0.945675  0.488845  0.682188  1
  Mg  Mg244  1  0.956621  0.131287  0.701770  1
  Mg  Mg245  1  0.104254  0.178129  0.659884  1
  Mg  Mg246  1  0.279008  0.155511  0.682188  1
  Mg  Mg247  1  0.789955  0.797953  0.701770  1
  Mg  Mg248  1  0.937587  0.844796  0.659884  1
  Mg  Mg249  1  0.112341  0.822178  0.682188  1
  Mg  Mg250  1  0.123288  0.464620  0.701770  1
  Mg  Mg251  1  0.270921  0.511462  0.659884  1
  Mg  Mg252  1  0.289955  0.797953  0.701770  1
