# generated using pymatgen
data_Mg13Al14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.07936149
_cell_length_b   14.90102745
_cell_length_c   47.69578508
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.41631647
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg13Al14
_chemical_formula_sum   'Mg156 Al168'
_cell_volume   14358.2740191
_cell_formula_units_Z   12
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  0.683585  0.610616  0.362319  1
  Mg  Mg2  1  0.236085  0.783332  0.290717  1
  Mg  Mg3  1  0.143428  0.527739  0.319873  1
  Mg  Mg4  1  0.565974  0.356350  0.396314  1
  Mg  Mg5  1  0.061971  0.727517  0.310474  1
  Mg  Mg6  1  0.494013  0.550238  0.382250  1
  Mg  Mg7  1  0.709637  0.298036  0.418660  1
  Mg  Mg8  1  0.277021  0.461047  0.347668  1
  Mg  Mg9  1  0.134993  0.186744  0.322456  1
  Mg  Mg10  1  0.567537  0.019858  0.392962  1
  Mg  Mg11  1  0.898225  0.357881  0.394692  1
  Mg  Mg12  1  0.464275  0.530803  0.320889  1
  Mg  Mg13  1  0.679169  0.273185  0.358752  1
  Mg  Mg14  1  0.115577  0.097776  0.429280  1
  Mg  Mg15  1  0.083558  0.080493  0.368385  1
  Mg  Mg16  1  0.634483  0.270667  0.300021  1
  Mg  Mg17  1  0.797408  0.197665  0.324531  1
  Mg  Mg18  1  0.233889  0.019488  0.396017  1
  Mg  Mg19  1  0.018468  0.280240  0.360788  1
  Mg  Mg20  1  0.451810  0.098908  0.429506  1
  Mg  Mg21  1  0.086667  0.751009  0.371732  1
  Mg  Mg22  1  0.650071  0.920398  0.298082  1
  Mg  Mg23  1  0.968754  0.916923  0.299252  1
  Mg  Mg24  1  0.419043  0.743791  0.369277  1
  Mg  Mg25  1  0.945693  0.474896  0.351384  1
  Mg  Mg26  1  0.379104  0.295987  0.419367  1
  Mg  Mg27  1  0.898809  0.025352  0.394454  1
  Mg  Mg28  1  0.475496  0.188768  0.320951  1
  Mg  Mg29  1  0.916195  0.124729  0.288721  1
  Mg  Mg30  1  0.351065  0.939168  0.361693  1
  Mg  Mg31  1  0.714503  0.963183  0.416945  1
  Mg  Mg32  1  0.279059  0.131977  0.347816  1
  Mg  Mg33  1  0.060676  0.043206  0.307870  1
  Mg  Mg34  1  0.491960  0.884643  0.380441  1
  Mg  Mg35  1  0.782039  0.436461  0.429825  1
  Mg  Mg36  1  0.347562  0.602958  0.360788  1
  Mg  Mg37  1  0.686174  0.939342  0.356752  1
  Mg  Mg38  1  0.262943  0.093082  0.288029  1
  Mg  Mg39  1  0.903951  0.683288  0.392039  1
  Mg  Mg40  1  0.464668  0.844834  0.319650  1
  Mg  Mg41  1  0.873499  0.665060  0.330585  1
  Mg  Mg42  1  0.302117  0.490109  0.407838  1
  Mg  Mg43  1  0.025980  0.605614  0.358673  1
  Mg  Mg44  1  0.591799  0.759615  0.289719  1
  Mg  Mg45  1  0.806207  0.867067  0.319913  1
  Mg  Mg46  1  0.231575  0.688886  0.396801  1
  Mg  Mg47  1  0.872129  0.332578  0.334097  1
  Mg  Mg48  1  0.307016  0.156404  0.407121  1
  Mg  Mg49  1  0.638131  0.158122  0.406162  1
  Mg  Mg50  1  0.207920  0.324988  0.332923  1
  Mg  Mg51  1  0.721937  0.067202  0.311665  1
  Mg  Mg52  1  0.158186  0.888138  0.385278  1
  Mg  Mg53  1  0.552208  0.257135  0.502530  1
  Mg  Mg54  1  0.120934  0.433728  0.429872  1
  Mg  Mg55  1  1.001482  0.180020  0.466452  1
  Mg  Mg56  1  0.438423  0.001789  0.538241  1
  Mg  Mg57  1  0.931151  0.375874  0.454179  1
  Mg  Mg58  1  0.366910  0.197784  0.526490  1
  Mg  Mg59  1  0.583485  0.941723  0.562087  1
  Mg  Mg60  1  0.145166  0.121030  0.490191  1
  Mg  Mg61  1  0.999717  0.847585  0.465827  1
  Mg  Mg62  1  0.434347  0.671195  0.538753  1
  Mg  Mg63  1  0.770307  0.005428  0.537664  1
  Mg  Mg64  1  0.336333  0.178451  0.466869  1
  Mg  Mg65  1  0.553553  0.921202  0.501447  1
  Mg  Mg66  1  0.987914  0.743766  0.573367  1
  Mg  Mg67  1  0.956995  0.726804  0.513679  1
  Mg  Mg68  1  0.521449  0.902959  0.441390  1
  Mg  Mg69  1  0.670951  0.842712  0.466066  1
  Mg  Mg70  1  0.104878  0.666817  0.539339  1
  Mg  Mg71  1  0.885213  0.923713  0.501734  1
  Mg  Mg72  1  0.317964  0.746436  0.575434  1
  Mg  Mg73  1  0.960253  0.392949  0.514457  1
  Mg  Mg74  1  0.521937  0.571642  0.442810  1
  Mg  Mg75  1  0.858062  0.570040  0.441592  1
  Mg  Mg76  1  0.292446  0.392475  0.514652  1
  Mg  Mg77  1  0.812240  0.121890  0.490409  1
  Mg  Mg78  1  0.247318  0.944054  0.563230  1
  Mg  Mg79  1  0.770332  0.670041  0.537672  1
  Mg  Mg80  1  0.335074  0.844372  0.467385  1
  Mg  Mg81  1  0.787592  0.767807  0.429367  1
  Mg  Mg82  1  0.219455  0.590636  0.503443  1
  Mg  Mg83  1  0.583741  0.610937  0.563548  1
  Mg  Mg84  1  0.148011  0.787494  0.491416  1
  Mg  Mg85  1  0.930675  0.707621  0.453180  1
  Mg  Mg86  1  0.362526  0.532693  0.527779  1
  Mg  Mg87  1  0.653501  0.082100  0.572414  1
  Mg  Mg88  1  0.218812  0.257356  0.501953  1
  Mg  Mg89  1  0.551798  0.592699  0.503443  1
  Mg  Mg90  1  0.116595  0.771016  0.431925  1
  Mg  Mg91  1  0.768770  0.335651  0.537874  1
  Mg  Mg92  1  0.334302  0.508883  0.467351  1
  Mg  Mg93  1  0.738050  0.316388  0.478369  1
  Mg  Mg94  1  0.174243  0.138241  0.550522  1
  Mg  Mg95  1  0.886424  0.256743  0.502788  1
  Mg  Mg96  1  0.451124  0.431993  0.432603  1
  Mg  Mg97  1  0.666907  0.512200  0.466558  1
  Mg  Mg98  1  0.103826  0.333977  0.538235  1
  Mg  Mg99  1  0.742113  0.981775  0.477221  1
  Mg  Mg100  1  0.174354  0.806447  0.551846  1
  Mg  Mg101  1  0.510845  0.804177  0.549857  1
  Mg  Mg102  1  0.073626  0.981910  0.477873  1
  Mg  Mg103  1  0.594535  0.709639  0.455042  1
  Mg  Mg104  1  0.031502  0.532181  0.526986  1
  Mg  Mg105  1  0.421281  0.904042  0.642459  1
  Mg  Mg106  1  0.984508  0.080350  0.574927  1
  Mg  Mg107  1  0.873376  0.825987  0.608819  1
  Mg  Mg108  1  0.299114  0.647541  0.684866  1
  Mg  Mg109  1  0.802770  0.024208  0.597025  1
  Mg  Mg110  1  0.231812  0.849381  0.674176  1
  Mg  Mg111  1  0.455407  0.593700  0.706728  1
  Mg  Mg112  1  0.016050  0.765053  0.634035  1
  Mg  Mg113  1  0.871127  0.494785  0.608233  1
  Mg  Mg114  1  0.307001  0.317291  0.680429  1
  Mg  Mg115  1  0.641990  0.670638  0.685530  1
  Mg  Mg116  1  0.201703  0.830057  0.612745  1
  Mg  Mg117  1  0.419186  0.574871  0.648104  1
  Mg  Mg118  1  0.842505  0.418393  0.716516  1
  Mg  Mg119  1  0.825855  0.381682  0.656666  1
  Mg  Mg120  1  0.390406  0.551137  0.587988  1
  Mg  Mg121  1  0.537748  0.494363  0.611994  1
  Mg  Mg122  1  0.970555  0.326588  0.682268  1
  Mg  Mg123  1  0.753482  0.574376  0.642374  1
  Mg  Mg124  1  0.188189  0.389484  0.716376  1
  Mg  Mg125  1  0.827949  0.053483  0.657039  1
  Mg  Mg126  1  0.395154  0.216718  0.586271  1
  Mg  Mg127  1  0.725721  0.218015  0.585454  1
  Mg  Mg128  1  0.159779  0.039722  0.653428  1
  Mg  Mg129  1  0.686159  0.770927  0.636237  1
  Mg  Mg130  1  0.134289  0.597141  0.705820  1
  Mg  Mg131  1  0.629870  0.326161  0.683895  1
  Mg  Mg132  1  0.204870  0.490051  0.610837  1
  Mg  Mg133  1  0.653110  0.414832  0.575271  1
  Mg  Mg134  1  0.086982  0.234419  0.643962  1
  Mg  Mg135  1  0.469981  0.243920  0.704963  1
  Mg  Mg136  1  0.021554  0.433709  0.636204  1
  Mg  Mg137  1  0.798035  0.357617  0.597470  1
  Mg  Mg138  1  0.232915  0.182028  0.670677  1
  Mg  Mg139  1  0.513895  0.754375  0.715029  1
  Mg  Mg140  1  0.080184  0.908632  0.645893  1
  Mg  Mg141  1  0.425363  0.242187  0.646235  1
  Mg  Mg142  1  0.989844  0.416042  0.575331  1
  Mg  Mg143  1  0.639753  0.982151  0.684037  1
  Mg  Mg144  1  0.207026  0.156603  0.610035  1
  Mg  Mg145  1  0.610552  0.963982  0.622627  1
  Mg  Mg146  1  0.044156  0.787431  0.694351  1
  Mg  Mg147  1  0.756643  0.912052  0.644021  1
  Mg  Mg148  1  0.323201  0.077860  0.574952  1
  Mg  Mg149  1  0.538655  0.158182  0.608755  1
  Mg  Mg150  1  0.962562  0.986615  0.684179  1
  Mg  Mg151  1  0.612988  0.630081  0.624579  1
  Mg  Mg152  1  0.043732  0.470605  0.696636  1
  Mg  Mg153  1  0.382866  0.447415  0.693140  1
  Mg  Mg154  1  0.947031  0.625975  0.619702  1
  Mg  Mg155  1  0.466548  0.356621  0.598933  1
  Mg  Mg156  1  0.897478  0.189205  0.671733  1
  Al  Al157  1  0.754051  0.410529  0.370225  1
  Al  Al158  1  0.310675  0.577926  0.304748  1
  Al  Al159  1  0.061438  0.389401  0.315985  1
  Al  Al160  1  0.493772  0.221089  0.382114  1
  Al  Al161  1  0.969562  0.165392  0.407003  1
  Al  Al162  1  0.530678  0.336526  0.340057  1
  Al  Al163  1  0.825767  0.222644  0.383199  1
  Al  Al164  1  0.395035  0.385330  0.317451  1
  Al  Al165  1  0.048331  0.293198  0.418312  1
  Al  Al166  1  0.609336  0.467776  0.345325  1
  Al  Al167  1  0.011440  0.941176  0.356289  1
  Al  Al168  1  0.448266  0.764537  0.428695  1
  Al  Al169  1  0.098116  0.410996  0.369228  1
  Al  Al170  1  0.665791  0.573344  0.305892  1
  Al  Al171  1  0.819917  0.556891  0.381290  1
  Al  Al172  1  0.370983  0.720481  0.313793  1
  Al  Al173  1  0.725188  0.394515  0.317051  1
  Al  Al174  1  0.159786  0.224366  0.383565  1
  Al  Al175  1  0.642069  0.816882  0.404125  1
  Al  Al176  1  0.206302  0.985949  0.334423  1
  Al  Al177  1  0.639172  0.499657  0.404328  1
  Al  Al178  1  0.205286  0.672178  0.337550  1
  Al  Al179  1  0.724222  0.723083  0.317584  1
  Al  Al180  1  0.161197  0.547394  0.383857  1
  Al  Al181  1  0.984737  0.488793  0.408948  1
  Al  Al182  1  0.548279  0.662144  0.338772  1
  Al  Al183  1  0.130089  0.862106  0.328569  1
  Al  Al184  1  0.563460  0.693772  0.395736  1
  Al  Al185  1  0.970520  0.824429  0.405048  1
  Al  Al186  1  0.536496  0.986835  0.334541  1
  Al  Al187  1  0.711010  0.634907  0.420755  1
  Al  Al188  1  0.271494  0.805155  0.349928  1
  Al  Al189  1  0.759749  0.751269  0.370332  1
  Al  Al190  1  0.320679  0.904955  0.307557  1
  Al  Al191  1  0.048438  0.633200  0.419615  1
  Al  Al192  1  0.610235  0.806020  0.347645  1
  Al  Al193  1  0.831494  0.881555  0.380176  1
  Al  Al194  1  0.399038  0.042785  0.315977  1
  Al  Al195  1  0.799684  0.525060  0.325161  1
  Al  Al196  1  0.234556  0.347070  0.393169  1
  Al  Al197  1  0.869883  0.005113  0.337042  1
  Al  Al198  1  0.306865  0.819496  0.407475  1
  Al  Al199  1  0.033408  0.967860  0.417026  1
  Al  Al200  1  0.603744  0.136708  0.346569  1
  Al  Al201  1  0.943197  0.810411  0.348622  1
  Al  Al202  1  0.375822  0.636197  0.421337  1
  Al  Al203  1  0.999807  0.565715  0.302640  1
  Al  Al204  1  0.422404  0.405314  0.371262  1
  Al  Al205  1  0.994974  0.250874  0.305177  1
  Al  Al206  1  0.425871  0.089543  0.367998  1
  Al  Al207  1  0.943072  0.136013  0.347971  1
  Al  Al208  1  0.375748  0.956032  0.422434  1
  Al  Al209  1  0.760688  0.078318  0.371391  1
  Al  Al210  1  0.336211  0.235864  0.307166  1
  Al  Al211  1  0.930599  0.439381  0.295725  1
  Al  Al212  1  0.355539  0.272250  0.360358  1
  Al  Al213  1  0.625578  0.057767  0.512101  1
  Al  Al214  1  0.189584  0.232802  0.441231  1
  Al  Al215  1  0.926598  0.047518  0.455046  1
  Al  Al216  1  0.362313  0.869633  0.527189  1
  Al  Al217  1  0.841066  0.810943  0.550064  1
  Al  Al218  1  0.406488  0.985781  0.479386  1
  Al  Al219  1  0.699051  0.869064  0.526470  1
  Al  Al220  1  0.262176  0.044085  0.456414  1
  Al  Al221  1  0.917021  0.939370  0.560870  1
  Al  Al222  1  0.482777  0.115414  0.488809  1
  Al  Al223  1  0.886303  0.585728  0.500826  1
  Al  Al224  1  0.320844  0.408833  0.574270  1
  Al  Al225  1  0.958973  0.056749  0.513982  1
  Al  Al226  1  0.524804  0.231919  0.442207  1
  Al  Al227  1  0.688698  0.202519  0.524593  1
  Al  Al228  1  0.255270  0.375040  0.453738  1
  Al  Al229  1  0.595020  0.047413  0.455302  1
  Al  Al230  1  0.028260  0.872305  0.528001  1
  Al  Al231  1  0.509848  0.466686  0.549653  1
  Al  Al232  1  0.076701  0.641999  0.477065  1
  Al  Al233  1  0.512569  0.144731  0.547002  1
  Al  Al234  1  0.077674  0.323694  0.475454  1
  Al  Al235  1  0.592283  0.369083  0.458060  1
  Al  Al236  1  0.027701  0.190336  0.529248  1
  Al  Al237  1  0.849889  0.139067  0.551159  1
  Al  Al238  1  0.415832  0.311860  0.480340  1
  Al  Al239  1  1.004284  0.515521  0.467459  1
  Al  Al240  1  0.437505  0.339680  0.539703  1
  Al  Al241  1  0.843145  0.470132  0.548084  1
  Al  Al242  1  0.406189  0.645029  0.478402  1
  Al  Al243  1  0.579705  0.282138  0.562829  1
  Al  Al244  1  0.146132  0.457434  0.490905  1
  Al  Al245  1  0.622143  0.398699  0.516062  1
  Al  Al246  1  0.187873  0.574938  0.444188  1
  Al  Al247  1  0.915732  0.281267  0.563420  1
  Al  Al248  1  0.479117  0.456526  0.492883  1
  Al  Al249  1  0.698827  0.528419  0.525389  1
  Al  Al250  1  0.264144  0.703334  0.455216  1
  Al  Al251  1  0.667034  0.174705  0.465358  1
  Al  Al252  1  0.101069  0.998618  0.537373  1
  Al  Al253  1  0.743150  0.644403  0.477760  1
  Al  Al254  1  0.178050  0.466758  0.550131  1
  Al  Al255  1  0.906633  0.612801  0.559775  1
  Al  Al256  1  0.471577  0.789430  0.489109  1
  Al  Al257  1  0.811595  0.461051  0.491550  1
  Al  Al258  1  0.247784  0.282913  0.564263  1
  Al  Al259  1  0.857169  0.231426  0.440580  1
  Al  Al260  1  0.293741  0.053008  0.513181  1
  Al  Al261  1  0.859852  0.912120  0.439224  1
  Al  Al262  1  0.292998  0.734990  0.512981  1
  Al  Al263  1  0.812111  0.779357  0.491956  1
  Al  Al264  1  0.244720  0.602445  0.566036  1
  Al  Al265  1  0.633867  0.724525  0.515873  1
  Al  Al266  1  0.198795  0.901427  0.445163  1
  Al  Al267  1  0.783324  0.105889  0.430874  1
  Al  Al268  1  0.218891  0.928403  0.504096  1
  Al  Al269  1  0.494911  0.708418  0.657198  1
  Al  Al270  1  0.056455  0.880761  0.585485  1
  Al  Al271  1  0.798579  0.695070  0.597764  1
  Al  Al272  1  0.234111  0.510015  0.668184  1
  Al  Al273  1  0.706907  0.472356  0.688642  1
  Al  Al274  1  0.273510  0.632709  0.624810  1
  Al  Al275  1  0.569479  0.528319  0.670463  1
  Al  Al276  1  0.132721  0.690562  0.600268  1
  Al  Al277  1  0.786312  0.607754  0.696352  1
  Al  Al278  1  0.345644  0.762934  0.634522  1
  Al  Al279  1  0.749364  0.241661  0.644332  1
  Al  Al280  1  0.175033  0.074641  0.709161  1
  Al  Al281  1  0.833575  0.707748  0.654916  1
  Al  Al282  1  0.394400  0.879418  0.584082  1
  Al  Al283  1  0.556217  0.852012  0.666005  1
  Al  Al284  1  0.120887  0.025210  0.595832  1
  Al  Al285  1  0.463064  0.697307  0.600701  1
  Al  Al286  1  0.898837  0.523404  0.668923  1
  Al  Al287  1  0.379569  0.120129  0.687837  1
  Al  Al288  1  0.945515  0.289995  0.621098  1
  Al  Al289  1  0.381156  0.791314  0.687284  1
  Al  Al290  1  0.943892  0.967498  0.620934  1
  Al  Al291  1  0.465854  0.014828  0.600374  1
  Al  Al292  1  0.896215  0.841934  0.669047  1
  Al  Al293  1  0.737994  0.793949  0.691673  1
  Al  Al294  1  0.285214  0.957509  0.623474  1
  Al  Al295  1  0.870684  0.167181  0.611521  1
  Al  Al296  1  0.305544  0.989415  0.679659  1
  Al  Al297  1  0.708922  0.129191  0.687372  1
  Al  Al298  1  0.278847  0.292449  0.621641  1
  Al  Al299  1  0.439497  0.941067  0.698934  1
  Al  Al300  1  0.007665  0.103586  0.635406  1
  Al  Al301  1  0.494979  0.047066  0.659403  1
  Al  Al302  1  0.057191  0.220794  0.586424  1
  Al  Al303  1  0.789218  0.945305  0.699967  1
  Al  Al304  1  0.351039  0.104241  0.634584  1
  Al  Al305  1  0.574102  0.177734  0.665025  1
  Al  Al306  1  0.135612  0.349231  0.597710  1
  Al  Al307  1  0.541490  0.820485  0.609118  1
  Al  Al308  1  0.969035  0.654344  0.677613  1
  Al  Al309  1  0.611107  0.292980  0.622814  1
  Al  Al310  1  0.044151  0.124806  0.688745  1
  Al  Al311  1  0.768942  0.277672  0.697460  1
  Al  Al312  1  0.343421  0.436835  0.633569  1
  Al  Al313  1  0.682305  0.108753  0.633677  1
  Al  Al314  1  0.105665  0.948732  0.702113  1
  Al  Al315  1  0.729240  0.877754  0.583712  1
  Al  Al316  1  0.161631  0.703768  0.656370  1
  Al  Al317  1  0.729273  0.557632  0.582066  1
  Al  Al318  1  0.161507  0.379007  0.657025  1
  Al  Al319  1  0.679199  0.424216  0.636707  1
  Al  Al320  1  0.110288  0.262940  0.699735  1
  Al  Al321  1  0.501619  0.377824  0.658510  1
  Al  Al322  1  0.070899  0.546760  0.587946  1
  Al  Al323  1  0.657307  0.748801  0.576649  1
  Al  Al324  1  0.090756  0.575279  0.649006  1
