# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.85649434
_cell_length_b   21.73336814
_cell_length_c   46.96254716
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.37047478
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg264
_cell_volume   13744.4284767
_cell_formula_units_Z   264
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  0.363049  0.382689  0.294412  1
  Mg  Mg2  1  0.578216  0.371670  0.318365  1
  Mg  Mg3  1  0.970147  0.377520  0.305573  1
  Mg  Mg4  1  0.362113  0.882738  0.294299  1
  Mg  Mg5  1  0.756546  0.889361  0.281714  1
  Mg  Mg6  1  0.970982  0.877549  0.305406  1
  Mg  Mg7  1  0.363097  0.746937  0.317061  1
  Mg  Mg8  1  0.755208  0.752575  0.304246  1
  Mg  Mg9  1  0.145945  0.757621  0.292403  1
  Mg  Mg10  1  0.362736  0.246920  0.317000  1
  Mg  Mg11  1  0.755224  0.251885  0.305065  1
  Mg  Mg12  1  0.145262  0.257758  0.292462  1
  Mg  Mg13  1  0.274640  0.623831  0.311759  1
  Mg  Mg14  1  0.665764  0.629716  0.299998  1
  Mg  Mg15  1  0.056906  0.636203  0.287196  1
  Mg  Mg16  1  0.274074  0.123896  0.311711  1
  Mg  Mg17  1  0.667206  0.129401  0.299940  1
  Mg  Mg18  1  0.056484  0.135915  0.287222  1
  Mg  Mg19  1  0.577420  0.508170  0.295692  1
  Mg  Mg20  1  0.972787  0.513924  0.282834  1
  Mg  Mg21  1  0.186349  0.501294  0.306554  1
  Mg  Mg22  1  0.579805  0.006747  0.294707  1
  Mg  Mg23  1  0.969702  0.014046  0.282668  1
  Mg  Mg24  1  0.185076  1.001209  0.306435  1
  Mg  Mg25  1  0.183796  0.366597  0.331931  1
  Mg  Mg26  1  0.398847  0.355536  0.359211  1
  Mg  Mg27  1  0.790895  0.361518  0.345180  1
  Mg  Mg28  1  0.184157  0.866414  0.332110  1
  Mg  Mg29  1  0.576873  0.871016  0.318603  1
  Mg  Mg30  1  0.791268  0.861266  0.346173  1
  Mg  Mg31  1  0.183532  0.730833  0.357531  1
  Mg  Mg32  1  0.576069  0.736949  0.344036  1
  Mg  Mg33  1  0.967367  0.743025  0.331010  1
  Mg  Mg34  1  0.183755  0.230900  0.357540  1
  Mg  Mg35  1  0.575844  0.237226  0.343846  1
  Mg  Mg36  1  0.968095  0.242541  0.331282  1
  Mg  Mg37  1  0.095276  0.608369  0.352131  1
  Mg  Mg38  1  0.487448  0.614181  0.339217  1
  Mg  Mg39  1  0.879163  0.619612  0.325995  1
  Mg  Mg40  1  0.095807  0.108264  0.352234  1
  Mg  Mg41  1  0.488098  0.113801  0.338819  1
  Mg  Mg42  1  0.879772  0.119825  0.326266  1
  Mg  Mg43  1  0.400093  0.490765  0.333721  1
  Mg  Mg44  1  0.791921  0.495801  0.319759  1
  Mg  Mg45  1  0.007214  0.485782  0.347267  1
  Mg  Mg46  1  0.399952  0.990853  0.333435  1
  Mg  Mg47  1  0.792853  0.996854  0.320834  1
  Mg  Mg48  1  0.007755  0.985810  0.347395  1
  Mg  Mg49  1  0.006099  0.350363  0.372141  1
  Mg  Mg50  1  0.220328  0.339503  0.398920  1
  Mg  Mg51  1  0.613030  0.345174  0.385480  1
  Mg  Mg52  1  0.006245  0.850413  0.372283  1
  Mg  Mg53  1  0.398586  0.855514  0.359309  1
  Mg  Mg54  1  0.612879  0.844977  0.385726  1
  Mg  Mg55  1  0.004389  0.715138  0.397675  1
  Mg  Mg56  1  0.397135  0.720610  0.384308  1
  Mg  Mg57  1  0.789401  0.725992  0.371085  1
  Mg  Mg58  1  0.004612  0.215097  0.397747  1
  Mg  Mg59  1  0.397534  0.220456  0.384150  1
  Mg  Mg60  1  0.789420  0.226317  0.371210  1
  Mg  Mg61  1  0.916580  0.592451  0.392483  1
  Mg  Mg62  1  0.309318  0.597612  0.378916  1
  Mg  Mg63  1  0.701894  0.602788  0.365714  1
  Mg  Mg64  1  0.916725  0.092547  0.392577  1
  Mg  Mg65  1  0.309841  0.097592  0.378811  1
  Mg  Mg66  1  0.701609  0.103404  0.365919  1
  Mg  Mg67  1  0.221936  0.474662  0.373385  1
  Mg  Mg68  1  0.614259  0.480277  0.360593  1
  Mg  Mg69  1  0.829084  0.469469  0.386805  1
  Mg  Mg70  1  0.222297  0.974675  0.373389  1
  Mg  Mg71  1  0.614535  0.979980  0.360275  1
  Mg  Mg72  1  0.829262  0.969671  0.387225  1
  Mg  Mg73  1  0.827682  0.334407  0.412263  1
  Mg  Mg74  1  0.042144  0.323422  0.439114  1
  Mg  Mg75  1  0.434807  0.328839  0.425840  1
  Mg  Mg76  1  0.827762  0.834167  0.412596  1
  Mg  Mg77  1  0.220246  0.839518  0.399043  1
  Mg  Mg78  1  0.434816  0.828800  0.425942  1
  Mg  Mg79  1  0.825898  0.698999  0.437958  1
  Mg  Mg80  1  0.218810  0.704313  0.424508  1
  Mg  Mg81  1  0.611322  0.709731  0.411115  1
  Mg  Mg82  1  0.825920  0.199173  0.437958  1
  Mg  Mg83  1  0.219080  0.204283  0.424440  1
  Mg  Mg84  1  0.611218  0.210020  0.411087  1
  Mg  Mg85  1  0.738348  0.576142  0.432521  1
  Mg  Mg86  1  0.131222  0.581452  0.419036  1
  Mg  Mg87  1  0.523577  0.587020  0.405888  1
  Mg  Mg88  1  0.738277  0.076337  0.432623  1
  Mg  Mg89  1  0.131563  0.081427  0.419054  1
  Mg  Mg90  1  0.523828  0.086912  0.405758  1
  Mg  Mg91  1  0.043703  0.458637  0.413736  1
  Mg  Mg92  1  0.436188  0.464137  0.400424  1
  Mg  Mg93  1  0.650941  0.453359  0.427135  1
  Mg  Mg94  1  0.044013  0.958677  0.413856  1
  Mg  Mg95  1  0.436389  0.964126  0.400336  1
  Mg  Mg96  1  0.650934  0.953335  0.427126  1
  Mg  Mg97  1  0.649339  0.318209  0.452478  1
  Mg  Mg98  1  0.863850  0.307414  0.479268  1
  Mg  Mg99  1  0.256535  0.312695  0.465904  1
  Mg  Mg100  1  0.649293  0.818052  0.452621  1
  Mg  Mg101  1  0.042106  0.823415  0.439227  1
  Mg  Mg102  1  0.256505  0.812699  0.465990  1
  Mg  Mg103  1  0.647628  0.682842  0.478089  1
  Mg  Mg104  1  0.040481  0.688173  0.464646  1
  Mg  Mg105  1  0.433097  0.693656  0.451344  1
  Mg  Mg106  1  0.647582  0.182963  0.478038  1
  Mg  Mg107  1  0.040598  0.188181  0.464631  1
  Mg  Mg108  1  0.433206  0.193628  0.451243  1
  Mg  Mg109  1  0.560079  0.560061  0.472691  1
  Mg  Mg110  1  0.952951  0.565390  0.459276  1
  Mg  Mg111  1  0.345493  0.570814  0.445919  1
  Mg  Mg112  1  0.560099  0.060051  0.472665  1
  Mg  Mg113  1  0.953021  0.065442  0.459305  1
  Mg  Mg114  1  0.345722  0.070777  0.445867  1
  Mg  Mg115  1  0.865437  0.442603  0.453792  1
  Mg  Mg116  1  0.258095  0.447905  0.440391  1
  Mg  Mg117  1  0.472620  0.437256  0.467248  1
  Mg  Mg118  1  0.865515  0.942595  0.453945  1
  Mg  Mg119  1  0.258319  0.947895  0.440436  1
  Mg  Mg120  1  0.472668  0.937233  0.467260  1
  Mg  Mg121  1  0.471057  0.302011  0.492691  1
  Mg  Mg122  1  0.685521  0.291274  0.519394  1
  Mg  Mg123  1  0.078299  0.296567  0.506033  1
  Mg  Mg124  1  0.471033  0.801981  0.492787  1
  Mg  Mg125  1  0.863811  0.807274  0.479426  1
  Mg  Mg126  1  0.078275  0.796537  0.506129  1
  Mg  Mg127  1  0.469392  0.666767  0.518244  1
  Mg  Mg128  1  0.862153  0.672065  0.504842  1
  Mg  Mg129  1  0.254905  0.677480  0.491490  1
  Mg  Mg130  1  0.469297  0.166768  0.518161  1
  Mg  Mg131  1  0.862182  0.172138  0.504812  1
  Mg  Mg132  1  0.254937  0.177472  0.491424  1
  Mg  Mg133  1  0.381890  0.543937  0.512829  1
  Mg  Mg134  1  0.774666  0.549274  0.499410  1
  Mg  Mg135  1  0.167442  0.554610  0.485991  1
  Mg  Mg136  1  0.381822  0.043937  0.512817  1
  Mg  Mg137  1  0.774666  0.049274  0.499410  1
  Mg  Mg138  1  0.167511  0.054611  0.486003  1
  Mg  Mg139  1  0.687179  0.426483  0.493978  1
  Mg  Mg140  1  0.079940  0.431781  0.480577  1
  Mg  Mg141  1  0.294427  0.421068  0.507330  1
  Mg  Mg142  1  0.687150  0.926409  0.494008  1
  Mg  Mg143  1  0.080035  0.931780  0.480659  1
  Mg  Mg144  1  0.294395  0.921075  0.507396  1
  Mg  Mg145  1  0.292827  0.285848  0.532830  1
  Mg  Mg146  1  0.507226  0.275133  0.559593  1
  Mg  Mg147  1  0.900039  0.280496  0.546199  1
  Mg  Mg148  1  0.292797  0.785853  0.532916  1
  Mg  Mg149  1  0.685482  0.791134  0.519552  1
  Mg  Mg150  1  0.899993  0.780338  0.546342  1
  Mg  Mg151  1  0.291237  0.650643  0.558429  1
  Mg  Mg152  1  0.683895  0.655945  0.545028  1
  Mg  Mg153  1  0.076712  0.661291  0.531572  1
  Mg  Mg154  1  0.291013  0.150653  0.558384  1
  Mg  Mg155  1  0.683817  0.155953  0.544875  1
  Mg  Mg156  1  0.076664  0.161314  0.531560  1
  Mg  Mg157  1  0.203840  0.527733  0.552901  1
  Mg  Mg158  1  0.596381  0.533157  0.539544  1
  Mg  Mg159  1  0.989253  0.538486  0.526129  1
  Mg  Mg160  1  0.203610  0.027771  0.552953  1
  Mg  Mg161  1  0.596311  0.033105  0.539516  1
  Mg  Mg162  1  0.989233  0.038497  0.526155  1
  Mg  Mg163  1  0.508851  0.410374  0.534174  1
  Mg  Mg164  1  0.901704  0.415706  0.520731  1
  Mg  Mg165  1  0.116235  0.404891  0.547476  1
  Mg  Mg166  1  0.508734  0.910366  0.534189  1
  Mg  Mg167  1  0.901750  0.915584  0.520783  1
  Mg  Mg168  1  0.116126  0.904920  0.547577  1
  Mg  Mg169  1  0.114517  0.269747  0.572878  1
  Mg  Mg170  1  0.329086  0.259030  0.599777  1
  Mg  Mg171  1  0.721570  0.264380  0.586224  1
  Mg  Mg172  1  0.114526  0.769709  0.572980  1
  Mg  Mg173  1  0.507188  0.775126  0.559706  1
  Mg  Mg174  1  0.721650  0.764140  0.586557  1
  Mg  Mg175  1  0.113145  0.634410  0.598396  1
  Mg  Mg176  1  0.505629  0.639910  0.585084  1
  Mg  Mg177  1  0.898391  0.645188  0.571685  1
  Mg  Mg178  1  0.112943  0.134421  0.598484  1
  Mg  Mg179  1  0.505319  0.139870  0.584964  1
  Mg  Mg180  1  0.898398  0.145213  0.571694  1
  Mg  Mg181  1  0.025755  0.511527  0.592932  1
  Mg  Mg182  1  0.418111  0.517096  0.579784  1
  Mg  Mg183  1  0.810984  0.522406  0.566299  1
  Mg  Mg184  1  0.025504  0.011636  0.593062  1
  Mg  Mg185  1  0.417769  0.017120  0.579766  1
  Mg  Mg186  1  0.811055  0.022210  0.566197  1
  Mg  Mg187  1  0.330522  0.394234  0.574312  1
  Mg  Mg188  1  0.723434  0.399548  0.560862  1
  Mg  Mg189  1  0.938010  0.388817  0.587705  1
  Mg  Mg190  1  0.330252  0.894264  0.574380  1
  Mg  Mg191  1  0.723413  0.899375  0.560863  1
  Mg  Mg192  1  0.938115  0.888527  0.587733  1
  Mg  Mg193  1  0.936454  0.253570  0.613094  1
  Mg  Mg194  1  0.150746  0.243033  0.639511  1
  Mg  Mg195  1  0.543087  0.248135  0.626537  1
  Mg  Mg196  1  0.936302  0.753374  0.613340  1
  Mg  Mg197  1  0.329004  0.759045  0.599900  1
  Mg  Mg198  1  0.543234  0.748184  0.626680  1
  Mg  Mg199  1  0.935074  0.618270  0.638227  1
  Mg  Mg200  1  0.327397  0.623886  0.625435  1
  Mg  Mg201  1  0.720249  0.629078  0.612015  1
  Mg  Mg202  1  0.934797  0.118568  0.638545  1
  Mg  Mg203  1  0.327035  0.123872  0.625431  1
  Mg  Mg204  1  0.720070  0.128877  0.611595  1
  Mg  Mg205  1  0.847439  0.495759  0.633106  1
  Mg  Mg206  1  0.240015  0.500936  0.619904  1
  Mg  Mg207  1  0.632753  0.506097  0.606337  1
  Mg  Mg208  1  0.847724  0.995143  0.632901  1
  Mg  Mg209  1  0.239492  1.000955  0.620009  1
  Mg  Mg210  1  0.632607  0.006001  0.606243  1
  Mg  Mg211  1  0.152198  0.377937  0.614512  1
  Mg  Mg212  1  0.544944  0.383409  0.601145  1
  Mg  Mg213  1  0.759932  0.372556  0.627735  1
  Mg  Mg214  1  0.151798  0.878092  0.614670  1
  Mg  Mg215  1  0.544720  0.883451  0.601073  1
  Mg  Mg216  1  0.759913  0.872231  0.627610  1
  Mg  Mg217  1  0.758065  0.237281  0.652647  1
  Mg  Mg218  1  0.972460  0.227532  0.680217  1
  Mg  Mg219  1  0.365175  0.232133  0.666710  1
  Mg  Mg220  1  0.758438  0.737030  0.653640  1
  Mg  Mg221  1  0.150485  0.743011  0.639609  1
  Mg  Mg222  1  0.365536  0.731951  0.666889  1
  Mg  Mg223  1  0.757411  0.602747  0.679061  1
  Mg  Mg224  1  0.149239  0.607783  0.665099  1
  Mg  Mg225  1  0.542118  0.612765  0.651553  1
  Mg  Mg226  1  0.756479  0.101694  0.677986  1
  Mg  Mg227  1  0.149380  0.107694  0.665385  1
  Mg  Mg228  1  0.541577  0.112738  0.651425  1
  Mg  Mg229  1  0.670170  0.478935  0.672825  1
  Mg  Mg230  1  0.061885  0.484367  0.659603  1
  Mg  Mg231  1  0.454057  0.490179  0.646689  1
  Mg  Mg232  1  0.669560  0.978722  0.672554  1
  Mg  Mg233  1  0.061235  0.984747  0.660001  1
  Mg  Mg234  1  0.453525  0.990283  0.646586  1
  Mg  Mg235  1  0.973263  0.361598  0.654784  1
  Mg  Mg236  1  0.365800  0.367715  0.641289  1
  Mg  Mg237  1  0.581965  0.355523  0.667810  1
  Mg  Mg238  1  0.973488  0.861322  0.654974  1
  Mg  Mg239  1  0.365577  0.867647  0.641280  1
  Mg  Mg240  1  0.581237  0.856007  0.667538  1
  Mg  Mg241  1  0.578350  0.220999  0.693414  1
  Mg  Mg242  1  0.792786  0.209186  0.717106  1
  Mg  Mg243  1  0.187219  0.215810  0.704521  1
  Mg  Mg244  1  0.579185  0.721027  0.693247  1
  Mg  Mg245  1  0.971117  0.726878  0.680455  1
  Mg  Mg246  1  0.186283  0.715859  0.704408  1
  Mg  Mg247  1  0.576545  0.584623  0.715986  1
  Mg  Mg248  1  0.971912  0.590378  0.703128  1
  Mg  Mg249  1  0.362984  0.597253  0.692266  1
  Mg  Mg250  1  0.579630  0.084502  0.716152  1
  Mg  Mg251  1  0.969528  0.091801  0.704113  1
  Mg  Mg252  1  0.364256  0.097339  0.692385  1
  Mg  Mg253  1  0.492426  0.462344  0.711624  1
  Mg  Mg254  1  0.883568  0.468831  0.698822  1
  Mg  Mg255  1  0.274692  0.474716  0.687061  1
  Mg  Mg256  1  0.492848  0.962633  0.711598  1
  Mg  Mg257  1  0.882126  0.969147  0.698880  1
  Mg  Mg258  1  0.275258  0.974652  0.687109  1
  Mg  Mg259  1  0.794124  0.345972  0.694574  1
  Mg  Mg260  1  0.186235  0.351610  0.681759  1
  Mg  Mg261  1  0.403388  0.340927  0.706417  1
  Mg  Mg262  1  0.794108  0.846662  0.693755  1
  Mg  Mg263  1  0.186596  0.851627  0.681820  1
  Mg  Mg264  1  0.404070  0.840789  0.706358  1
