# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.83132821
_cell_length_b   16.80824473
_cell_length_c   46.71526543
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.09649090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg252
_cell_volume   13182.2213509
_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  0.217410  0.733642  0.317001  1
  Mg  Mg2  1  0.226512  0.377144  0.338753  1
  Mg  Mg3  1  0.373207  0.423322  0.297507  1
  Mg  Mg4  1  0.550744  0.400309  0.317001  1
  Mg  Mg5  1  0.206540  0.089989  0.297507  1
  Mg  Mg6  1  0.384077  0.066976  0.317001  1
  Mg  Mg7  1  0.393178  0.710477  0.338753  1
  Mg  Mg8  1  0.539873  0.756655  0.297507  1
  Mg  Mg9  1  0.717410  0.733642  0.317001  1
  Mg  Mg10  1  0.726512  0.377144  0.338753  1
  Mg  Mg11  1  0.873207  0.423322  0.297507  1
  Mg  Mg12  1  0.050744  0.400309  0.317001  1
  Mg  Mg13  1  0.559845  0.043810  0.338753  1
  Mg  Mg14  1  0.706540  0.089989  0.297507  1
  Mg  Mg15  1  0.884077  0.066976  0.317001  1
  Mg  Mg16  1  0.893178  0.710477  0.338753  1
  Mg  Mg17  1  0.039873  0.756655  0.297507  1
  Mg  Mg18  1  0.059845  0.043810  0.338753  1
  Mg  Mg19  1  0.264393  0.914880  0.304451  1
  Mg  Mg20  1  0.273765  0.557975  0.324541  1
  Mg  Mg21  1  0.423133  0.604946  0.285937  1
  Mg  Mg22  1  0.597726  0.581546  0.304451  1
  Mg  Mg23  1  0.256467  0.271613  0.285937  1
  Mg  Mg24  1  0.431059  0.248213  0.304451  1
  Mg  Mg25  1  0.440432  0.891308  0.324541  1
  Mg  Mg26  1  0.589800  0.938280  0.285937  1
  Mg  Mg27  1  0.764393  0.914880  0.304451  1
  Mg  Mg28  1  0.773765  0.557975  0.324541  1
  Mg  Mg29  1  0.923133  0.604946  0.285937  1
  Mg  Mg30  1  0.097726  0.581546  0.304451  1
  Mg  Mg31  1  0.607099  0.224642  0.324541  1
  Mg  Mg32  1  0.756467  0.271613  0.285937  1
  Mg  Mg33  1  0.931059  0.248213  0.304451  1
  Mg  Mg34  1  0.940432  0.891308  0.324541  1
  Mg  Mg35  1  0.089800  0.938280  0.285937  1
  Mg  Mg36  1  0.107099  0.224642  0.324541  1
  Mg  Mg37  1  0.246693  0.663688  0.380053  1
  Mg  Mg38  1  0.257091  0.307398  0.401295  1
  Mg  Mg39  1  0.403600  0.353467  0.359280  1
  Mg  Mg40  1  0.580027  0.330354  0.380053  1
  Mg  Mg41  1  0.236933  0.020134  0.359280  1
  Mg  Mg42  1  0.413360  0.997021  0.380053  1
  Mg  Mg43  1  0.423757  0.640731  0.401295  1
  Mg  Mg44  1  0.570266  0.686800  0.359280  1
  Mg  Mg45  1  0.746693  0.663688  0.380053  1
  Mg  Mg46  1  0.757091  0.307398  0.401295  1
  Mg  Mg47  1  0.903600  0.353467  0.359280  1
  Mg  Mg48  1  0.080027  0.330354  0.380053  1
  Mg  Mg49  1  0.590424  0.974064  0.401295  1
  Mg  Mg50  1  0.736933  0.020134  0.359280  1
  Mg  Mg51  1  0.913360  0.997021  0.380053  1
  Mg  Mg52  1  0.923757  0.640731  0.401295  1
  Mg  Mg53  1  0.070266  0.686800  0.359280  1
  Mg  Mg54  1  0.090424  0.974064  0.401295  1
  Mg  Mg55  1  0.294631  0.845530  0.366761  1
  Mg  Mg56  1  0.305096  0.489271  0.387464  1
  Mg  Mg57  1  0.451581  0.535018  0.346295  1
  Mg  Mg58  1  0.627964  0.512197  0.366761  1
  Mg  Mg59  1  0.284914  0.201685  0.346295  1
  Mg  Mg60  1  0.461298  0.178863  0.366761  1
  Mg  Mg61  1  0.471763  0.822604  0.387464  1
  Mg  Mg62  1  0.618247  0.868352  0.346295  1
  Mg  Mg63  1  0.794631  0.845530  0.366761  1
  Mg  Mg64  1  0.805096  0.489271  0.387464  1
  Mg  Mg65  1  0.951581  0.535018  0.346295  1
  Mg  Mg66  1  0.127964  0.512197  0.366761  1
  Mg  Mg67  1  0.638430  0.155938  0.387464  1
  Mg  Mg68  1  0.784914  0.201685  0.346295  1
  Mg  Mg69  1  0.961298  0.178863  0.366761  1
  Mg  Mg70  1  0.971763  0.822604  0.387464  1
  Mg  Mg71  1  0.118247  0.868352  0.346295  1
  Mg  Mg72  1  0.138430  0.155938  0.387464  1
  Mg  Mg73  1  0.277367  0.594289  0.442992  1
  Mg  Mg74  1  0.287655  0.237824  0.463981  1
  Mg  Mg75  1  0.433867  0.284056  0.422127  1
  Mg  Mg76  1  0.610700  0.260956  0.442992  1
  Mg  Mg77  1  0.267201  0.950723  0.422127  1
  Mg  Mg78  1  0.444034  0.927622  0.442992  1
  Mg  Mg79  1  0.454322  0.571157  0.463981  1
  Mg  Mg80  1  0.600534  0.617390  0.422127  1
  Mg  Mg81  1  0.777367  0.594289  0.442992  1
  Mg  Mg82  1  0.787655  0.237824  0.463981  1
  Mg  Mg83  1  0.933867  0.284056  0.422127  1
  Mg  Mg84  1  0.110700  0.260956  0.442992  1
  Mg  Mg85  1  0.620989  0.904490  0.463981  1
  Mg  Mg86  1  0.767201  0.950723  0.422127  1
  Mg  Mg87  1  0.944034  0.927622  0.442992  1
  Mg  Mg88  1  0.954322  0.571157  0.463981  1
  Mg  Mg89  1  0.100534  0.617390  0.422127  1
  Mg  Mg90  1  0.120989  0.904490  0.463981  1
  Mg  Mg91  1  0.325456  0.776037  0.429282  1
  Mg  Mg92  1  0.335669  0.419744  0.450239  1
  Mg  Mg93  1  0.481893  0.465701  0.408544  1
  Mg  Mg94  1  0.658790  0.442704  0.429282  1
  Mg  Mg95  1  0.315226  0.132368  0.408544  1
  Mg  Mg96  1  0.492123  0.109370  0.429282  1
  Mg  Mg97  1  0.502336  0.753078  0.450239  1
  Mg  Mg98  1  0.648560  0.799035  0.408544  1
  Mg  Mg99  1  0.825456  0.776037  0.429282  1
  Mg  Mg100  1  0.835669  0.419744  0.450239  1
  Mg  Mg101  1  0.981893  0.465701  0.408544  1
  Mg  Mg102  1  0.158790  0.442704  0.429282  1
  Mg  Mg103  1  0.669003  0.086411  0.450239  1
  Mg  Mg104  1  0.815226  0.132368  0.408544  1
  Mg  Mg105  1  0.992123  0.109370  0.429282  1
  Mg  Mg106  1  1.002336  0.753078  0.450239  1
  Mg  Mg107  1  0.148560  0.799035  0.408544  1
  Mg  Mg108  1  0.169003  0.086411  0.450239  1
  Mg  Mg109  1  0.308117  0.524864  0.505786  1
  Mg  Mg110  1  0.318353  0.168407  0.526659  1
  Mg  Mg111  1  0.464562  0.214600  0.484852  1
  Mg  Mg112  1  0.641450  0.191531  0.505786  1
  Mg  Mg113  1  0.297896  0.881266  0.484852  1
  Mg  Mg114  1  0.474783  0.858197  0.505786  1
  Mg  Mg115  1  0.485019  0.501740  0.526659  1
  Mg  Mg116  1  0.631229  0.547933  0.484852  1
  Mg  Mg117  1  0.808117  0.524864  0.505786  1
  Mg  Mg118  1  0.818353  0.168407  0.526659  1
  Mg  Mg119  1  0.964562  0.214600  0.484852  1
  Mg  Mg120  1  0.141450  0.191531  0.505786  1
  Mg  Mg121  1  0.651686  0.835073  0.526659  1
  Mg  Mg122  1  0.797896  0.881266  0.484852  1
  Mg  Mg123  1  0.974783  0.858197  0.505786  1
  Mg  Mg124  1  0.985019  0.501740  0.526659  1
  Mg  Mg125  1  0.131229  0.547933  0.484852  1
  Mg  Mg126  1  0.151686  0.835073  0.526659  1
  Mg  Mg127  1  0.356159  0.706685  0.492022  1
  Mg  Mg128  1  0.366380  0.350283  0.512956  1
  Mg  Mg129  1  0.512590  0.396475  0.471150  1
  Mg  Mg130  1  0.689493  0.373351  0.492022  1
  Mg  Mg131  1  0.345923  0.063142  0.471150  1
  Mg  Mg132  1  0.522826  0.040018  0.492022  1
  Mg  Mg133  1  0.533047  0.683616  0.512956  1
  Mg  Mg134  1  0.679256  0.729809  0.471150  1
  Mg  Mg135  1  0.856159  0.706685  0.492022  1
  Mg  Mg136  1  0.866380  0.350283  0.512956  1
  Mg  Mg137  1  0.012590  0.396475  0.471150  1
  Mg  Mg138  1  0.189493  0.373351  0.492022  1
  Mg  Mg139  1  0.699714  0.016949  0.512956  1
  Mg  Mg140  1  0.845923  0.063142  0.471150  1
  Mg  Mg141  1  0.022826  0.040018  0.492022  1
  Mg  Mg142  1  0.033047  0.683616  0.512956  1
  Mg  Mg143  1  0.179256  0.729809  0.471150  1
  Mg  Mg144  1  0.199714  0.016949  0.512956  1
  Mg  Mg145  1  0.338820  0.455512  0.568527  1
  Mg  Mg146  1  0.349050  0.099181  0.589265  1
  Mg  Mg147  1  0.495273  0.145138  0.547569  1
  Mg  Mg148  1  0.672153  0.122179  0.568527  1
  Mg  Mg149  1  0.328607  0.811804  0.547569  1
  Mg  Mg150  1  0.505486  0.788845  0.568527  1
  Mg  Mg151  1  0.515716  0.432514  0.589265  1
  Mg  Mg152  1  0.661940  0.478471  0.547569  1
  Mg  Mg153  1  0.838820  0.455512  0.568527  1
  Mg  Mg154  1  0.849050  0.099181  0.589265  1
  Mg  Mg155  1  0.995273  0.145138  0.547569  1
  Mg  Mg156  1  0.172153  0.122179  0.568527  1
  Mg  Mg157  1  0.682383  0.765847  0.589265  1
  Mg  Mg158  1  0.828607  0.811804  0.547569  1
  Mg  Mg159  1  0.005486  0.788845  0.568527  1
  Mg  Mg160  1  0.015716  0.432514  0.589265  1
  Mg  Mg161  1  0.161940  0.478471  0.547569  1
  Mg  Mg162  1  0.182383  0.765847  0.589265  1
  Mg  Mg163  1  0.386909  0.637260  0.554817  1
  Mg  Mg164  1  0.397075  0.280826  0.575682  1
  Mg  Mg165  1  0.543287  0.327059  0.533827  1
  Mg  Mg166  1  0.720242  0.303926  0.554817  1
  Mg  Mg167  1  0.376621  0.993725  0.533827  1
  Mg  Mg168  1  0.553576  0.970593  0.554817  1
  Mg  Mg169  1  0.563742  0.614159  0.575682  1
  Mg  Mg170  1  0.709954  0.660392  0.533827  1
  Mg  Mg171  1  0.886909  0.637260  0.554817  1
  Mg  Mg172  1  0.897075  0.280826  0.575682  1
  Mg  Mg173  1  0.043287  0.327059  0.533827  1
  Mg  Mg174  1  0.220242  0.303926  0.554817  1
  Mg  Mg175  1  0.730408  0.947492  0.575682  1
  Mg  Mg176  1  0.876621  0.993725  0.533827  1
  Mg  Mg177  1  0.053576  0.970593  0.554817  1
  Mg  Mg178  1  0.063742  0.614159  0.575682  1
  Mg  Mg179  1  0.209954  0.660392  0.533827  1
  Mg  Mg180  1  0.230408  0.947492  0.575682  1
  Mg  Mg181  1  0.369645  0.386019  0.631048  1
  Mg  Mg182  1  0.379362  0.029864  0.651514  1
  Mg  Mg183  1  0.525846  0.075611  0.610345  1
  Mg  Mg184  1  0.702978  0.052685  0.631048  1
  Mg  Mg185  1  0.359179  0.742278  0.610345  1
  Mg  Mg186  1  0.536312  0.719352  0.631048  1
  Mg  Mg187  1  0.546028  0.363197  0.651514  1
  Mg  Mg188  1  0.692513  0.408944  0.610345  1
  Mg  Mg189  1  0.869645  0.386019  0.631048  1
  Mg  Mg190  1  0.879362  0.029864  0.651514  1
  Mg  Mg191  1  0.025846  0.075611  0.610345  1
  Mg  Mg192  1  0.202978  0.052685  0.631048  1
  Mg  Mg193  1  0.712695  0.696531  0.651514  1
  Mg  Mg194  1  0.859179  0.742278  0.610345  1
  Mg  Mg195  1  0.036312  0.719352  0.631048  1
  Mg  Mg196  1  0.046028  0.363197  0.651514  1
  Mg  Mg197  1  0.192513  0.408944  0.610345  1
  Mg  Mg198  1  0.212695  0.696531  0.651514  1
  Mg  Mg199  1  0.417583  0.567861  0.617756  1
  Mg  Mg200  1  0.427343  0.211415  0.638529  1
  Mg  Mg201  1  0.573852  0.257485  0.596514  1
  Mg  Mg202  1  0.750916  0.234528  0.617756  1
  Mg  Mg203  1  0.407185  0.924151  0.596514  1
  Mg  Mg204  1  0.584249  0.901195  0.617756  1
  Mg  Mg205  1  0.594010  0.544748  0.638529  1
  Mg  Mg206  1  0.740519  0.590818  0.596514  1
  Mg  Mg207  1  0.917583  0.567861  0.617756  1
  Mg  Mg208  1  0.927343  0.211415  0.638529  1
  Mg  Mg209  1  0.073852  0.257485  0.596514  1
  Mg  Mg210  1  0.250916  0.234528  0.617756  1
  Mg  Mg211  1  0.760676  0.878082  0.638529  1
  Mg  Mg212  1  0.907185  0.924151  0.596514  1
  Mg  Mg213  1  0.084249  0.901195  0.617756  1
  Mg  Mg214  1  0.094010  0.544748  0.638529  1
  Mg  Mg215  1  0.240519  0.590818  0.596514  1
  Mg  Mg216  1  0.260676  0.878082  0.638529  1
  Mg  Mg217  1  0.399883  0.316669  0.693358  1
  Mg  Mg218  1  0.407809  0.959936  0.711872  1
  Mg  Mg219  1  0.557177  0.006907  0.673268  1
  Mg  Mg220  1  0.733217  0.983336  0.693358  1
  Mg  Mg221  1  0.390510  0.673574  0.673268  1
  Mg  Mg222  1  0.566550  0.650002  0.693358  1
  Mg  Mg223  1  0.574476  0.293269  0.711872  1
  Mg  Mg224  1  0.723844  0.340240  0.673268  1
  Mg  Mg225  1  0.899883  0.316669  0.693358  1
  Mg  Mg226  1  0.907809  0.959936  0.711872  1
  Mg  Mg227  1  0.057177  0.006907  0.673268  1
  Mg  Mg228  1  0.233217  0.983336  0.693358  1
  Mg  Mg229  1  0.741143  0.626603  0.711872  1
  Mg  Mg230  1  0.890510  0.673574  0.673268  1
  Mg  Mg231  1  0.066550  0.650002  0.693358  1
  Mg  Mg232  1  0.074476  0.293269  0.711872  1
  Mg  Mg233  1  0.223844  0.340240  0.673268  1
  Mg  Mg234  1  0.241143  0.626603  0.711872  1
  Mg  Mg235  1  0.446865  0.497907  0.680808  1
  Mg  Mg236  1  0.457736  0.141560  0.700302  1
  Mg  Mg237  1  0.604431  0.187739  0.659056  1
  Mg  Mg238  1  0.780199  0.164573  0.680808  1
  Mg  Mg239  1  0.437764  0.854405  0.659056  1
  Mg  Mg240  1  0.613532  0.831240  0.680808  1
  Mg  Mg241  1  0.624402  0.474894  0.700302  1
  Mg  Mg242  1  0.771098  0.521072  0.659056  1
  Mg  Mg243  1  0.946865  0.497907  0.680808  1
  Mg  Mg244  1  0.957736  0.141560  0.700302  1
  Mg  Mg245  1  0.104431  0.187739  0.659056  1
  Mg  Mg246  1  0.280199  0.164573  0.680808  1
  Mg  Mg247  1  0.791069  0.808227  0.700302  1
  Mg  Mg248  1  0.937764  0.854405  0.659056  1
  Mg  Mg249  1  0.113532  0.831240  0.680808  1
  Mg  Mg250  1  0.124402  0.474894  0.700302  1
  Mg  Mg251  1  0.271098  0.521072  0.659056  1
  Mg  Mg252  1  0.291069  0.808227  0.700302  1
