# generated using pymatgen
data_Mg41Al67
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.21701625
_cell_length_b   17.97833203
_cell_length_c   50.42541786
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.44720589
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg41Al67
_chemical_formula_sum   'Mg123 Al201'
_cell_volume   13723.735348
_cell_formula_units_Z   3
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  0.841715  0.005960  0.406085  1
  Mg  Mg2  1  0.103698  0.033116  0.309557  1
  Mg  Mg3  1  0.053129  0.608898  0.357593  1
  Mg  Mg4  1  0.105944  0.712501  0.307996  1
  Mg  Mg5  1  0.094311  0.369555  0.307295  1
  Mg  Mg6  1  0.171145  0.509312  0.405424  1
  Mg  Mg7  1  0.603947  0.033960  0.307628  1
  Mg  Mg8  1  0.666622  0.833726  0.407084  1
  Mg  Mg9  1  0.670149  1.001653  0.408007  1
  Mg  Mg10  1  0.930576  0.034008  0.308228  1
  Mg  Mg11  1  0.503102  0.005621  0.403487  1
  Mg  Mg12  1  0.055107  0.106049  0.356674  1
  Mg  Mg13  1  0.930322  0.538116  0.310916  1
  Mg  Mg14  1  0.677121  0.343125  0.406840  1
  Mg  Mg15  1  0.610203  0.539474  0.309424  1
  Mg  Mg16  1  0.881285  0.268052  0.360774  1
  Mg  Mg17  1  0.552562  0.608458  0.357746  1
  Mg  Mg18  1  0.161362  0.832932  0.407167  1
  Mg  Mg19  1  0.436903  0.535670  0.311396  1
  Mg  Mg20  1  0.841164  0.509340  0.407942  1
  Mg  Mg21  1  0.556545  0.108674  0.353620  1
  Mg  Mg22  1  0.173539  0.338183  0.406062  1
  Mg  Mg23  1  0.338594  0.506058  0.407265  1
  Mg  Mg24  1  0.101115  0.204137  0.307475  1
  Mg  Mg25  1  0.503277  0.177753  0.404039  1
  Mg  Mg26  1  0.672338  0.513613  0.406315  1
  Mg  Mg27  1  0.608861  0.711386  0.308123  1
  Mg  Mg28  1  0.386616  0.773444  0.359805  1
  Mg  Mg29  1  0.333458  0.004887  0.406136  1
  Mg  Mg30  1  0.161824  1.001117  0.407951  1
  Mg  Mg31  1  0.677552  0.174648  0.405350  1
  Mg  Mg32  1  0.101723  0.539518  0.309627  1
  Mg  Mg33  1  0.270616  0.367648  0.309103  1
  Mg  Mg34  1  0.719408  0.444758  0.358262  1
  Mg  Mg35  1  0.606195  0.212923  0.304572  1
  Mg  Mg36  1  0.432065  0.036703  0.305385  1
  Mg  Mg37  1  0.388824  0.266466  0.361769  1
  Mg  Mg38  1  0.721809  0.935552  0.358565  1
  Mg  Mg39  1  0.218469  0.934711  0.358724  1
  Mg  Mg40  1  0.274947  0.548894  0.307322  1
  Mg  Mg41  1  0.215978  0.438526  0.355633  1
  Mg  Mg42  1  0.193751  0.710495  0.548668  1
  Mg  Mg43  1  0.452862  0.734056  0.454887  1
  Mg  Mg44  1  0.399537  0.312442  0.503447  1
  Mg  Mg45  1  0.458226  0.413493  0.454355  1
  Mg  Mg46  1  0.445290  0.073442  0.455025  1
  Mg  Mg47  1  0.520847  0.214307  0.551145  1
  Mg  Mg48  1  0.954134  0.736122  0.453088  1
  Mg  Mg49  1  0.016755  0.536935  0.549878  1
  Mg  Mg50  1  0.021990  0.704701  0.550897  1
  Mg  Mg51  1  0.284138  0.738001  0.452910  1
  Mg  Mg52  1  0.853226  0.705628  0.548362  1
  Mg  Mg53  1  0.406297  0.804434  0.503010  1
  Mg  Mg54  1  0.281230  0.239934  0.455565  1
  Mg  Mg55  1  0.026271  0.044787  0.550546  1
  Mg  Mg56  1  0.960677  0.244957  0.452920  1
  Mg  Mg57  1  0.237490  0.975214  0.502116  1
  Mg  Mg58  1  0.904738  0.312453  0.503273  1
  Mg  Mg59  1  0.511812  0.537022  0.550234  1
  Mg  Mg60  1  0.789139  0.240676  0.455663  1
  Mg  Mg61  1  0.190843  0.212428  0.551323  1
  Mg  Mg62  1  0.909126  0.809241  0.500154  1
  Mg  Mg63  1  0.523545  0.040187  0.552803  1
  Mg  Mg64  1  0.690208  0.210108  0.552987  1
  Mg  Mg65  1  0.448710  0.905642  0.453687  1
  Mg  Mg66  1  0.855214  0.880452  0.547748  1
  Mg  Mg67  1  0.022118  0.216373  0.549346  1
  Mg  Mg68  1  0.963169  0.413407  0.453999  1
  Mg  Mg69  1  0.737490  0.475214  0.502116  1
  Mg  Mg70  1  0.685842  0.709753  0.548570  1
  Mg  Mg71  1  0.514304  0.705472  0.551313  1
  Mg  Mg72  1  0.029691  0.876987  0.549208  1
  Mg  Mg73  1  0.452991  0.245728  0.453336  1
  Mg  Mg74  1  0.619767  0.069977  0.456485  1
  Mg  Mg75  1  0.068684  0.145995  0.501223  1
  Mg  Mg76  1  0.951436  0.910242  0.451430  1
  Mg  Mg77  1  0.784773  0.740321  0.451246  1
  Mg  Mg78  1  0.737490  0.975214  0.502116  1
  Mg  Mg79  1  0.075444  0.637987  0.500785  1
  Mg  Mg80  1  0.570243  0.637975  0.500960  1
  Mg  Mg81  1  0.621755  0.244800  0.455871  1
  Mg  Mg82  1  0.565855  0.141188  0.504079  1
  Mg  Mg83  1  0.544659  0.412313  0.693317  1
  Mg  Mg84  1  0.802643  0.436816  0.597918  1
  Mg  Mg85  1  0.753172  0.014876  0.645668  1
  Mg  Mg86  1  0.808359  0.116703  0.597149  1
  Mg  Mg87  1  0.797429  0.775781  0.598883  1
  Mg  Mg88  1  0.871034  0.916469  0.696605  1
  Mg  Mg89  1  0.303836  0.441117  0.598809  1
  Mg  Mg90  1  0.369037  0.237927  0.696237  1
  Mg  Mg91  1  0.373258  0.410911  0.694606  1
  Mg  Mg92  1  0.633817  0.441088  0.596291  1
  Mg  Mg93  1  0.200034  0.401535  0.696911  1
  Mg  Mg94  1  0.755573  0.505671  0.645971  1
  Mg  Mg95  1  0.633266  0.944468  0.598148  1
  Mg  Mg96  1  0.373866  0.746292  0.696758  1
  Mg  Mg97  1  0.313157  0.949312  0.596282  1
  Mg  Mg98  1  0.593696  0.682377  0.643459  1
  Mg  Mg99  1  0.256512  0.015718  0.645509  1
  Mg  Mg100  1  0.866120  0.239043  0.696110  1
  Mg  Mg101  1  0.141523  0.945541  0.598097  1
  Mg  Mg102  1  0.544405  0.916421  0.696005  1
  Mg  Mg103  1  0.259003  0.511903  0.648600  1
  Mg  Mg104  1  0.868786  0.737506  0.699661  1
  Mg  Mg105  1  0.042916  0.913726  0.698848  1
  Mg  Mg106  1  0.797860  0.607304  0.597393  1
  Mg  Mg107  1  0.204365  0.582781  0.695130  1
  Mg  Mg108  1  0.371283  0.917313  0.694676  1
  Mg  Mg109  1  0.313619  0.117497  0.597066  1
  Mg  Mg110  1  0.088365  0.176985  0.644428  1
  Mg  Mg111  1  0.038077  0.414758  0.692837  1
  Mg  Mg112  1  0.864778  0.410955  0.694809  1
  Mg  Mg113  1  0.380670  0.580874  0.696938  1
  Mg  Mg114  1  0.804832  0.948776  0.596226  1
  Mg  Mg115  1  0.971704  0.772676  0.600194  1
  Mg  Mg116  1  0.419874  0.844380  0.647559  1
  Mg  Mg117  1  0.301442  0.612246  0.598171  1
  Mg  Mg118  1  0.136387  0.444370  0.596968  1
  Mg  Mg119  1  0.086157  0.683962  0.642464  1
  Mg  Mg120  1  0.421852  0.341530  0.646640  1
  Mg  Mg121  1  0.922419  0.341971  0.646487  1
  Mg  Mg122  1  0.971879  0.944808  0.600746  1
  Mg  Mg123  1  0.918436  0.841755  0.650613  1
  Al  Al124  1  0.836418  0.837896  0.402210  1
  Al  Al125  1  0.553570  0.770819  0.358888  1
  Al  Al126  1  0.884788  0.611850  0.359996  1
  Al  Al127  1  0.500151  0.672741  0.405603  1
  Al  Al128  1  0.383120  0.432925  0.360063  1
  Al  Al129  1  0.381348  0.605424  0.359114  1
  Al  Al130  1  0.272881  0.043987  0.313969  1
  Al  Al131  1  0.328740  0.166978  0.408320  1
  Al  Al132  1  0.172754  0.673934  0.404861  1
  Al  Al133  1  0.274414  0.871575  0.314214  1
  Al  Al134  1  0.269702  0.201413  0.316123  1
  Al  Al135  1  0.221780  0.101021  0.359686  1
  Al  Al136  1  0.005115  0.174927  0.404783  1
  Al  Al137  1  0.928203  0.369705  0.314157  1
  Al  Al138  1  0.886907  0.104605  0.357921  1
  Al  Al139  1  0.002890  0.670656  0.405965  1
  Al  Al140  1  0.716871  0.273994  0.357339  1
  Al  Al141  1  0.004242  0.008151  0.404609  1
  Al  Al142  1  0.343423  0.338865  0.407328  1
  Al  Al143  1  0.505758  0.511678  0.406435  1
  Al  Al144  1  0.837877  0.675755  0.404556  1
  Al  Al145  1  0.437298  0.205787  0.314513  1
  Al  Al146  1  0.048104  0.932521  0.358602  1
  Al  Al147  1  0.385983  0.099476  0.356833  1
  Al  Al148  1  0.272123  0.712097  0.314384  1
  Al  Al149  1  0.498153  0.834650  0.406321  1
  Al  Al150  1  0.767111  0.204344  0.315049  1
  Al  Al151  1  0.441782  0.709519  0.315527  1
  Al  Al152  1  0.512523  0.350504  0.405404  1
  Al  Al153  1  0.332161  0.838753  0.404144  1
  Al  Al154  1  0.436540  0.869813  0.312041  1
  Al  Al155  1  0.886203  0.772679  0.358964  1
  Al  Al156  1  0.599480  0.372385  0.314103  1
  Al  Al157  1  0.938500  0.711190  0.315988  1
  Al  Al158  1  0.722434  0.771458  0.358043  1
  Al  Al159  1  0.390998  0.939172  0.355521  1
  Al  Al160  1  0.776906  0.713235  0.314841  1
  Al  Al161  1  0.170715  0.172371  0.405745  1
  Al  Al162  1  0.847165  0.343997  0.407698  1
  Al  Al163  1  0.046434  0.438137  0.357612  1
  Al  Al164  1  0.667712  0.672599  0.405427  1
  Al  Al165  1  0.102343  0.872180  0.314041  1
  Al  Al166  1  0.336380  0.672085  0.406609  1
  Al  Al167  1  0.553058  0.934904  0.357754  1
  Al  Al168  1  0.217182  0.771088  0.358254  1
  Al  Al169  1  0.719393  0.098343  0.358592  1
  Al  Al170  1  0.931468  0.203027  0.314604  1
  Al  Al171  1  0.221390  0.608917  0.357507  1
  Al  Al172  1  0.048259  0.770991  0.358658  1
  Al  Al173  1  0.438664  0.368416  0.314696  1
  Al  Al174  1  0.053932  0.271663  0.357180  1
  Al  Al175  1  0.771518  0.372618  0.314733  1
  Al  Al176  1  0.559009  0.275517  0.356759  1
  Al  Al177  1  0.220043  0.269601  0.358454  1
  Al  Al178  1  0.008211  0.343686  0.404206  1
  Al  Al179  1  0.772113  0.872241  0.313411  1
  Al  Al180  1  0.772709  0.044789  0.313939  1
  Al  Al181  1  0.548250  0.441577  0.358291  1
  Al  Al182  1  0.724315  0.615187  0.358405  1
  Al  Al183  1  0.993552  0.833942  0.403988  1
  Al  Al184  1  0.599074  0.870165  0.314709  1
  Al  Al185  1  0.841700  0.170360  0.407145  1
  Al  Al186  1  0.885611  0.438052  0.360132  1
  Al  Al187  1  0.891288  0.935696  0.357024  1
  Al  Al188  1  0.935757  0.868161  0.313772  1
  Al  Al189  1  0.778610  0.555844  0.314626  1
  Al  Al190  1  0.007710  0.511500  0.406140  1
  Al  Al191  1  0.187603  0.541243  0.547089  1
  Al  Al192  1  0.904793  0.474839  0.502226  1
  Al  Al193  1  0.232181  0.314998  0.503293  1
  Al  Al194  1  0.851870  0.376356  0.549937  1
  Al  Al195  1  0.735680  0.142022  0.504929  1
  Al  Al196  1  0.733500  0.310373  0.504662  1
  Al  Al197  1  0.617511  0.734784  0.453559  1
  Al  Al198  1  0.683124  0.874653  0.550156  1
  Al  Al199  1  0.520649  0.377813  0.549456  1
  Al  Al200  1  0.623111  0.574073  0.454296  1
  Al  Al201  1  0.615142  0.898599  0.456479  1
  Al  Al202  1  0.576289  0.805853  0.503012  1
  Al  Al203  1  0.356802  0.875972  0.549770  1
  Al  Al204  1  0.279041  0.073733  0.454865  1
  Al  Al205  1  0.241200  0.810791  0.500403  1
  Al  Al206  1  0.351227  0.376094  0.550941  1
  Al  Al207  1  0.069553  0.978298  0.501005  1
  Al  Al208  1  0.353594  0.707373  0.550340  1
  Al  Al209  1  0.693439  0.042402  0.549899  1
  Al  Al210  1  0.857470  0.215645  0.550674  1
  Al  Al211  1  0.188201  0.380151  0.548797  1
  Al  Al212  1  0.781542  0.908027  0.454334  1
  Al  Al213  1  0.398440  0.630764  0.503324  1
  Al  Al214  1  0.739301  0.808407  0.499304  1
  Al  Al215  1  0.628693  0.414806  0.454578  1
  Al  Al216  1  0.846288  0.535623  0.549655  1
  Al  Al217  1  0.116012  0.903076  0.456524  1
  Al  Al218  1  0.792824  0.409892  0.456929  1
  Al  Al219  1  0.859839  0.051830  0.547754  1
  Al  Al220  1  0.682157  0.540537  0.547304  1
  Al  Al221  1  0.789059  0.574688  0.454229  1
  Al  Al222  1  0.237490  0.475214  0.502116  1
  Al  Al223  1  0.954288  0.076521  0.453626  1
  Al  Al224  1  0.287378  0.409185  0.457144  1
  Al  Al225  1  0.077681  0.475742  0.501780  1
  Al  Al226  1  0.741481  0.640056  0.499571  1
  Al  Al227  1  0.132090  0.413380  0.454806  1
  Al  Al228  1  0.520693  0.873908  0.550607  1
  Al  Al229  1  0.197958  0.046778  0.550109  1
  Al  Al230  1  0.398604  0.147706  0.502392  1
  Al  Al231  1  0.021372  0.377555  0.550087  1
  Al  Al232  1  0.453609  0.572874  0.454145  1
  Al  Al233  1  0.685922  0.375741  0.550004  1
  Al  Al234  1  0.905345  0.634631  0.502027  1
  Al  Al235  1  0.570188  0.475590  0.502007  1
  Al  Al236  1  0.076377  0.802723  0.501841  1
  Al  Al237  1  0.277023  0.903651  0.454124  1
  Al  Al238  1  0.569636  0.315798  0.502206  1
  Al  Al239  1  0.397300  0.474686  0.502453  1
  Al  Al240  1  0.791857  0.075776  0.454077  1
  Al  Al241  1  0.405428  0.972131  0.503228  1
  Al  Al242  1  0.118179  0.074457  0.454463  1
  Al  Al243  1  0.906695  0.979509  0.499996  1
  Al  Al244  1  0.568285  0.970920  0.504237  1
  Al  Al245  1  0.358969  0.047352  0.547709  1
  Al  Al246  1  0.123754  0.574334  0.453292  1
  Al  Al247  1  0.118116  0.734448  0.453493  1
  Al  Al248  1  0.898692  0.144575  0.501221  1
  Al  Al249  1  0.076541  0.319664  0.500909  1
  Al  Al250  1  0.342891  0.537049  0.549427  1
  Al  Al251  1  0.954332  0.572616  0.454777  1
  Al  Al252  1  0.195940  0.876696  0.549368  1
  Al  Al253  1  0.233781  0.139638  0.503830  1
  Al  Al254  1  0.242800  0.635430  0.500940  1
  Al  Al255  1  0.286780  0.570277  0.455436  1
  Al  Al256  1  0.121387  0.243056  0.453893  1
  Al  Al257  1  0.356865  0.215981  0.550739  1
  Al  Al258  1  0.536481  0.239239  0.688245  1
  Al  Al259  1  0.257799  0.179341  0.645979  1
  Al  Al260  1  0.583693  0.014733  0.647209  1
  Al  Al261  1  0.200567  0.078854  0.690018  1
  Al  Al262  1  0.088998  0.850953  0.647400  1
  Al  Al263  1  0.083983  0.011257  0.648712  1
  Al  Al264  1  0.969223  0.438751  0.597798  1
  Al  Al265  1  0.036317  0.582012  0.689537  1
  Al  Al266  1  0.875907  0.080263  0.689524  1
  Al  Al267  1  0.974830  0.277688  0.598630  1
  Al  Al268  1  0.962458  0.599924  0.598829  1
  Al  Al269  1  0.926731  0.508851  0.645941  1
  Al  Al270  1  0.703463  0.577811  0.689500  1
  Al  Al271  1  0.633281  0.780069  0.597088  1
  Al  Al272  1  0.589370  0.512376  0.644100  1
  Al  Al273  1  0.702868  0.078188  0.690822  1
  Al  Al274  1  0.421049  0.678765  0.647053  1
  Al  Al275  1  0.696371  0.394585  0.689607  1
  Al  Al276  1  0.037683  0.744642  0.689720  1
  Al  Al277  1  0.202100  0.906442  0.690264  1
  Al  Al278  1  0.539224  0.082268  0.690461  1
  Al  Al279  1  0.131558  0.611564  0.596905  1
  Al  Al280  1  0.750666  0.335242  0.645827  1
  Al  Al281  1  0.091861  0.517504  0.644170  1
  Al  Al282  1  0.976828  0.115778  0.597912  1
  Al  Al283  1  0.202858  0.238332  0.689849  1
  Al  Al284  1  0.466770  0.606743  0.600027  1
  Al  Al285  1  0.142820  0.111676  0.600089  1
  Al  Al286  1  0.205279  0.749016  0.688110  1
  Al  Al287  1  0.033199  0.240909  0.688706  1
  Al  Al288  1  0.138601  0.278343  0.597624  1
  Al  Al289  1  0.588778  0.177749  0.645269  1
  Al  Al290  1  0.304266  0.778058  0.598488  1
  Al  Al291  1  0.638563  0.112533  0.602023  1
  Al  Al292  1  0.426722  0.179438  0.645575  1
  Al  Al293  1  0.093633  0.345005  0.645119  1
  Al  Al294  1  0.481429  0.116487  0.600245  1
  Al  Al295  1  0.875501  0.578044  0.690130  1
  Al  Al296  1  0.543513  0.747402  0.689629  1
  Al  Al297  1  0.755588  0.852086  0.645640  1
  Al  Al298  1  0.372638  0.078249  0.690192  1
  Al  Al299  1  0.807269  0.277830  0.598806  1
  Al  Al300  1  0.038441  0.080616  0.692192  1
  Al  Al301  1  0.253591  0.341511  0.646726  1
  Al  Al302  1  0.921411  0.179610  0.645345  1
  Al  Al303  1  0.428547  0.512292  0.646621  1
  Al  Al304  1  0.627816  0.606432  0.596535  1
  Al  Al305  1  0.921923  0.015525  0.646479  1
  Al  Al306  1  0.752547  0.178971  0.646190  1
  Al  Al307  1  0.146241  0.783451  0.595913  1
  Al  Al308  1  0.758110  0.676434  0.646894  1
  Al  Al309  1  0.469866  0.775502  0.599450  1
  Al  Al310  1  0.254938  0.680828  0.645779  1
  Al  Al311  1  0.915972  0.674912  0.647474  1
  Al  Al312  1  0.707870  0.746085  0.689184  1
  Al  Al313  1  0.472091  0.279772  0.598268  1
  Al  Al314  1  0.467271  0.438928  0.598093  1
  Al  Al315  1  0.253201  0.849408  0.644546  1
  Al  Al316  1  0.426877  0.017908  0.645631  1
  Al  Al317  1  0.698075  0.237193  0.689392  1
  Al  Al318  1  0.302227  0.276495  0.599371  1
  Al  Al319  1  0.546778  0.580724  0.690076  1
  Al  Al320  1  0.588074  0.845824  0.646312  1
  Al  Al321  1  0.590193  0.338579  0.644237  1
  Al  Al322  1  0.637104  0.274674  0.599677  1
  Al  Al323  1  0.470739  0.942278  0.599624  1
  Al  Al324  1  0.702272  0.905640  0.690293  1
