# generated using pymatgen
data_Mg23Al30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.65411206
_cell_length_b   21.81490219
_cell_length_c   54.93740411
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg23Al30
_chemical_formula_sum   'Mg138 Al180'
_cell_volume   15165.3724464
_cell_formula_units_Z   6
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  0.266138  0.796443  0.381618  1
  Mg  Mg2  1  0.432875  0.797214  0.468657  1
  Mg  Mg3  1  0.032064  0.797313  0.459084  1
  Mg  Mg4  1  0.220750  0.871576  0.490420  1
  Mg  Mg5  1  0.055540  0.872299  0.405215  1
  Mg  Mg6  1  0.457077  0.872177  0.414565  1
  Mg  Mg7  1  0.341340  0.655174  0.384372  1
  Mg  Mg8  1  0.391269  0.653358  0.482909  1
  Mg  Mg9  1  0.999369  0.653741  0.443637  1
  Mg  Mg10  1  0.146257  0.016088  0.489335  1
  Mg  Mg11  1  0.097544  0.016116  0.390664  1
  Mg  Mg12  1  0.489788  0.016236  0.430164  1
  Mg  Mg13  1  0.002048  0.876557  0.315694  1
  Mg  Mg14  1  0.831741  0.877549  0.450257  1
  Mg  Mg15  1  0.400540  0.878401  0.348876  1
  Mg  Mg16  1  0.989890  0.792123  0.360956  1
  Mg  Mg17  1  0.656724  0.792370  0.423504  1
  Mg  Mg18  1  0.592629  0.792603  0.329376  1
  Mg  Mg19  1  0.244465  0.259375  0.437042  1
  Mg  Mg20  1  0.244240  0.410696  0.436978  1
  Mg  Mg21  1  0.244201  0.015896  0.436888  1
  Mg  Mg22  1  0.244094  0.655093  0.437125  1
  Mg  Mg23  1  0.244683  0.831913  0.436406  1
  Mg  Mg24  1  0.782278  0.136929  0.317655  1
  Mg  Mg25  1  0.931938  0.131556  0.401524  1
  Mg  Mg26  1  0.534259  0.132203  0.391855  1
  Mg  Mg27  1  0.721538  0.205493  0.423755  1
  Mg  Mg28  1  0.557093  0.206350  0.336028  1
  Mg  Mg29  1  0.961412  0.205737  0.348422  1
  Mg  Mg30  1  0.837649  0.992642  0.318746  1
  Mg  Mg31  1  0.891576  0.986818  0.415889  1
  Mg  Mg32  1  0.500518  0.987144  0.376120  1
  Mg  Mg33  1  0.645403  0.349084  0.422137  1
  Mg  Mg34  1  0.597191  0.350559  0.326863  1
  Mg  Mg35  1  0.989170  0.349189  0.363609  1
  Mg  Mg36  1  0.999965  0.211021  0.446185  1
  Mg  Mg37  1  0.331988  0.210186  0.383606  1
  Mg  Mg38  1  0.400638  0.210944  0.481257  1
  Mg  Mg39  1  0.988155  0.125453  0.494602  1
  Mg  Mg40  1  0.157393  0.125878  0.357144  1
  Mg  Mg41  1  0.588302  0.125469  0.459622  1
  Mg  Mg42  1  0.742168  0.593254  0.370626  1
  Mg  Mg43  1  0.745199  0.744280  0.370547  1
  Mg  Mg44  1  0.744217  0.350905  0.370529  1
  Mg  Mg45  1  0.744171  0.986548  0.370012  1
  Mg  Mg46  1  0.744410  0.173142  0.369466  1
  Mg  Mg47  1  0.767182  0.464360  0.450124  1
  Mg  Mg48  1  0.422183  0.462883  0.334006  1
  Mg  Mg49  1  0.033950  0.465882  0.327801  1
  Mg  Mg50  1  0.219311  0.539034  0.356515  1
  Mg  Mg51  1  0.554978  0.538998  0.472250  1
  Mg  Mg52  1  0.956580  0.539076  0.481964  1
  Mg  Mg53  1  0.841753  0.320519  0.451438  1
  Mg  Mg54  1  0.389977  0.319473  0.350735  1
  Mg  Mg55  1  0.008067  0.316277  0.311555  1
  Mg  Mg56  1  0.147069  0.682031  0.354450  1
  Mg  Mg57  1  0.596814  0.683049  0.457957  1
  Mg  Mg58  1  0.988997  0.682633  0.497434  1
  Mg  Mg59  1  0.497877  0.544048  0.378529  1
  Mg  Mg60  1  0.830047  0.545492  0.320867  1
  Mg  Mg61  1  0.900091  0.544276  0.414348  1
  Mg  Mg62  1  0.487583  0.458907  0.427698  1
  Mg  Mg63  1  0.156659  0.458948  0.490633  1
  Mg  Mg64  1  0.087559  0.458869  0.392418  1
  Mg  Mg65  1  0.242417  0.928557  0.308687  1
  Mg  Mg66  1  0.244876  0.076386  0.308503  1
  Mg  Mg67  1  0.239953  0.673613  0.301588  1
  Mg  Mg68  1  0.255134  0.317352  0.302837  1
  Mg  Mg69  1  0.240781  0.523989  0.302069  1
  Mg  Mg70  1  0.767085  0.797390  0.583858  1
  Mg  Mg71  1  0.929323  0.796327  0.671956  1
  Mg  Mg72  1  0.528804  0.797415  0.658822  1
  Mg  Mg73  1  0.707730  0.865501  0.689877  1
  Mg  Mg74  1  0.556803  0.871327  0.606151  1
  Mg  Mg75  1  0.954230  0.870585  0.615569  1
  Mg  Mg76  1  0.843311  0.654033  0.585810  1
  Mg  Mg77  1  0.890508  0.651687  0.681084  1
  Mg  Mg78  1  0.500654  0.654273  0.643977  1
  Mg  Mg79  1  0.650919  0.010344  0.688903  1
  Mg  Mg80  1  0.596793  0.016182  0.591742  1
  Mg  Mg81  1  0.986243  0.015616  0.631206  1
  Mg  Mg82  1  0.500228  0.877438  0.513132  1
  Mg  Mg83  1  0.331477  0.877585  0.650746  1
  Mg  Mg84  1  0.900257  0.877444  0.548086  1
  Mg  Mg85  1  0.488413  0.791974  0.561651  1
  Mg  Mg86  1  0.156846  0.792981  0.623956  1
  Mg  Mg87  1  0.087863  0.792057  0.526586  1
  Mg  Mg88  1  0.742807  0.258815  0.637278  1
  Mg  Mg89  1  0.746029  0.409535  0.637264  1
  Mg  Mg90  1  0.743494  0.017420  0.637522  1
  Mg  Mg91  1  0.744851  0.652216  0.637347  1
  Mg  Mg92  1  0.744629  0.828310  0.638009  1
  Mg  Mg93  1  0.267625  0.131029  0.517125  1
  Mg  Mg94  1  0.432089  0.129994  0.602670  1
  Mg  Mg95  1  0.031189  0.130457  0.593239  1
  Mg  Mg96  1  0.221374  0.205521  0.625245  1
  Mg  Mg97  1  0.055667  0.205458  0.539148  1
  Mg  Mg98  1  0.455933  0.205365  0.548676  1
  Mg  Mg99  1  0.342091  0.986832  0.518341  1
  Mg  Mg100  1  0.391002  0.986941  0.617028  1
  Mg  Mg101  1  0.998580  0.986672  0.577436  1
  Mg  Mg102  1  0.146483  0.347506  0.623148  1
  Mg  Mg103  1  0.097166  0.349693  0.524989  1
  Mg  Mg104  1  0.488653  0.349401  0.564379  1
  Mg  Mg105  1  0.499294  0.210571  0.646436  1
  Mg  Mg106  1  0.831724  0.210573  0.584272  1
  Mg  Mg107  1  0.895558  0.210317  0.678464  1
  Mg  Mg108  1  0.490861  0.127054  0.691825  1
  Mg  Mg109  1  0.656578  0.125405  0.557386  1
  Mg  Mg110  1  0.085901  0.124530  0.658269  1
  Mg  Mg111  1  0.244275  0.592350  0.570937  1
  Mg  Mg112  1  0.244156  0.743835  0.570762  1
  Mg  Mg113  1  0.244437  0.348803  0.570767  1
  Mg  Mg114  1  0.244083  0.987724  0.570928  1
  Mg  Mg115  1  0.243616  0.167654  0.571124  1
  Mg  Mg116  1  0.268232  0.465796  0.652236  1
  Mg  Mg117  1  0.933370  0.464026  0.535636  1
  Mg  Mg118  1  0.531744  0.463922  0.525974  1
  Mg  Mg119  1  0.721156  0.538509  0.557791  1
  Mg  Mg120  1  0.064725  0.539238  0.673207  1
  Mg  Mg121  1  0.456811  0.537731  0.679032  1
  Mg  Mg122  1  0.340502  0.319316  0.652652  1
  Mg  Mg123  1  0.891536  0.319888  0.549867  1
  Mg  Mg124  1  0.499243  0.320269  0.510518  1
  Mg  Mg125  1  0.646847  0.682360  0.556355  1
  Mg  Mg126  1  0.098334  0.683784  0.657209  1
  Mg  Mg127  1  0.482983  0.688196  0.696017  1
  Mg  Mg128  1  1.000829  0.544051  0.580269  1
  Mg  Mg129  1  0.331705  0.544015  0.517314  1
  Mg  Mg130  1  0.400656  0.544399  0.615763  1
  Mg  Mg131  1  0.990440  0.458308  0.629317  1
  Mg  Mg132  1  0.657137  0.456790  0.686999  1
  Mg  Mg133  1  0.587947  0.458659  0.593646  1
  Mg  Mg134  1  0.744041  0.925869  0.503804  1
  Mg  Mg135  1  0.744415  0.077018  0.503858  1
  Mg  Mg136  1  0.744179  0.681790  0.503872  1
  Mg  Mg137  1  0.744196  0.321101  0.503949  1
  Mg  Mg138  1  0.744153  0.501528  0.503950  1
  Al  Al139  1  0.037060  0.068407  0.443599  1
  Al  Al140  1  0.419646  0.735185  0.423694  1
  Al  Al141  1  0.108583  0.734684  0.407966  1
  Al  Al142  1  0.205327  0.734614  0.478974  1
  Al  Al143  1  0.069974  0.934346  0.449956  1
  Al  Al144  1  0.380177  0.934635  0.465396  1
  Al  Al145  1  0.282572  0.933954  0.395512  1
  Al  Al146  1  0.324370  0.068577  0.392332  1
  Al  Al147  1  0.372864  0.068352  0.475079  1
  Al  Al148  1  0.450049  0.601471  0.430031  1
  Al  Al149  1  0.166111  0.601345  0.481952  1
  Al  Al150  1  0.116235  0.601942  0.398713  1
  Al  Al151  1  0.197070  0.136426  0.463745  1
  Al  Al152  1  0.167947  0.136317  0.414358  1
  Al  Al153  1  0.368773  0.136494  0.433132  1
  Al  Al154  1  0.290758  0.533760  0.410048  1
  Al  Al155  1  0.320330  0.533510  0.459749  1
  Al  Al156  1  0.120553  0.533704  0.440864  1
  Al  Al157  1  0.154499  0.900265  0.357351  1
  Al  Al158  1  0.587330  0.901191  0.458862  1
  Al  Al159  1  0.990445  0.901120  0.494794  1
  Al  Al160  1  0.833513  0.770170  0.317965  1
  Al  Al161  1  0.901480  0.768661  0.415142  1
  Al  Al162  1  0.496879  0.768861  0.378987  1
  Al  Al163  1  0.279089  1.000901  0.352980  1
  Al  Al164  1  0.545211  1.000575  0.486348  1
  Al  Al165  1  0.909092  1.000649  0.472617  1
  Al  Al166  1  0.710806  0.669220  0.322712  1
  Al  Al167  1  0.943661  0.669377  0.387695  1
  Al  Al168  1  0.578958  0.669146  0.401364  1
  Al  Al169  1  0.535057  0.402717  0.376540  1
  Al  Al170  1  0.918263  0.069309  0.357201  1
  Al  Al171  1  0.615932  0.070323  0.342763  1
  Al  Al172  1  0.706427  0.068523  0.411287  1
  Al  Al173  1  0.569618  0.268026  0.382014  1
  Al  Al174  1  0.880551  0.268804  0.398503  1
  Al  Al175  1  0.786007  0.272274  0.331372  1
  Al  Al176  1  0.825428  0.400591  0.325388  1
  Al  Al177  1  0.872718  0.402158  0.408270  1
  Al  Al178  1  0.949802  0.935554  0.363136  1
  Al  Al179  1  0.666377  0.934637  0.414847  1
  Al  Al180  1  0.615584  0.935008  0.330868  1
  Al  Al181  1  0.695383  0.470173  0.396733  1
  Al  Al182  1  0.665016  0.469832  0.347329  1
  Al  Al183  1  0.866550  0.469458  0.366228  1
  Al  Al184  1  0.790921  0.868289  0.342957  1
  Al  Al185  1  0.821239  0.866669  0.392719  1
  Al  Al186  1  0.621366  0.867604  0.373858  1
  Al  Al187  1  0.154758  0.234608  0.490834  1
  Al  Al188  1  0.088481  0.234876  0.392346  1
  Al  Al189  1  0.491087  0.234749  0.427846  1
  Al  Al190  1  0.833480  0.101843  0.449925  1
  Al  Al191  1  0.404347  0.101920  0.348788  1
  Al  Al192  1  0.004052  0.100429  0.313709  1
  Al  Al193  1  0.278452  0.334186  0.485681  1
  Al  Al194  1  0.045309  0.334385  0.419687  1
  Al  Al195  1  0.409056  0.334214  0.405899  1
  Al  Al196  1  0.710043  0.002360  0.455063  1
  Al  Al197  1  0.443007  1.001227  0.321570  1
  Al  Al198  1  0.077396  0.001777  0.334337  1
  Al  Al199  1  0.035901  0.734054  0.310727  1
  Al  Al200  1  0.919130  0.401865  0.490858  1
  Al  Al201  1  0.607676  0.401547  0.475160  1
  Al  Al202  1  0.205216  0.399507  0.344757  1
  Al  Al203  1  0.060277  0.600206  0.317702  1
  Al  Al204  1  0.380692  0.606122  0.333559  1
  Al  Al205  1  0.782527  0.601348  0.462190  1
  Al  Al206  1  0.822194  0.735096  0.459087  1
  Al  Al207  1  0.372087  0.734823  0.339255  1
  Al  Al208  1  0.950971  0.268125  0.497155  1
  Al  Al209  1  0.169684  0.268457  0.347871  1
  Al  Al210  1  0.615803  0.268094  0.465734  1
  Al  Al211  1  0.198027  0.801102  0.328406  1
  Al  Al212  1  0.667627  0.803050  0.481048  1
  Al  Al213  1  0.867754  0.802880  0.499971  1
  Al  Al214  1  0.791446  0.200064  0.477140  1
  Al  Al215  1  0.321452  0.200053  0.327084  1
  Al  Al216  1  0.128586  0.199179  0.308413  1
  Al  Al217  1  0.653801  0.567925  0.423997  1
  Al  Al218  1  0.585846  0.568519  0.326712  1
  Al  Al219  1  0.988441  0.568291  0.361979  1
  Al  Al220  1  0.332222  0.435550  0.382916  1
  Al  Al221  1  0.400700  0.435259  0.481878  1
  Al  Al222  1  0.998022  0.435485  0.446029  1
  Al  Al223  1  0.778390  0.667531  0.419002  1
  Al  Al224  1  0.545823  0.668684  0.353111  1
  Al  Al225  1  0.907074  0.668558  0.339836  1
  Al  Al226  1  0.209900  0.335771  0.388437  1
  Al  Al227  1  0.443092  0.335698  0.454448  1
  Al  Al228  1  0.079407  0.335840  0.468230  1
  Al  Al229  1  0.538213  0.067269  0.644606  1
  Al  Al230  1  0.920590  0.734782  0.626037  1
  Al  Al231  1  0.607942  0.734048  0.609031  1
  Al  Al232  1  0.702438  0.730288  0.676621  1
  Al  Al233  1  0.571239  0.934030  0.650251  1
  Al  Al234  1  0.869964  0.932325  0.664225  1
  Al  Al235  1  0.781650  0.934404  0.596446  1
  Al  Al236  1  0.821763  0.068447  0.592703  1
  Al  Al237  1  0.870980  0.068661  0.676677  1
  Al  Al238  1  0.953944  0.600131  0.631503  1
  Al  Al239  1  0.662129  0.602190  0.682501  1
  Al  Al240  1  0.615928  0.600808  0.599573  1
  Al  Al241  1  0.697053  0.135257  0.664685  1
  Al  Al242  1  0.666927  0.136403  0.614884  1
  Al  Al243  1  0.866747  0.135688  0.633804  1
  Al  Al244  1  0.793255  0.532772  0.611194  1
  Al  Al245  1  0.823674  0.532667  0.660659  1
  Al  Al246  1  0.622369  0.533401  0.641592  1
  Al  Al247  1  0.654892  0.901089  0.557754  1
  Al  Al248  1  0.081887  0.900247  0.658528  1
  Al  Al249  1  0.489996  0.902407  0.693637  1
  Al  Al250  1  0.333698  0.768382  0.517005  1
  Al  Al251  1  0.399599  0.768484  0.615720  1
  Al  Al252  1  0.997697  0.768158  0.579928  1
  Al  Al253  1  0.778374  1.000495  0.552585  1
  Al  Al254  1  0.036493  1.000361  0.685022  1
  Al  Al255  1  0.412164  1.000939  0.673349  1
  Al  Al256  1  0.209991  0.668749  0.522264  1
  Al  Al257  1  0.443254  0.668722  0.588132  1
  Al  Al258  1  0.079780  0.668856  0.602149  1
  Al  Al259  1  0.038091  0.401621  0.577785  1
  Al  Al260  1  0.419088  0.068339  0.557702  1
  Al  Al261  1  0.107770  0.068029  0.542156  1
  Al  Al262  1  0.204792  0.067791  0.612721  1
  Al  Al263  1  0.069603  0.267423  0.583973  1
  Al  Al264  1  0.379085  0.267804  0.599554  1
  Al  Al265  1  0.282564  0.268112  0.529071  1
  Al  Al266  1  0.322340  0.401781  0.525957  1
  Al  Al267  1  0.370851  0.401525  0.609816  1
  Al  Al268  1  0.451154  0.934625  0.564137  1
  Al  Al269  1  0.164346  0.934916  0.615729  1
  Al  Al270  1  0.115821  0.934590  0.532591  1
  Al  Al271  1  0.197511  0.469331  0.598223  1
  Al  Al272  1  0.168069  0.469671  0.548228  1
  Al  Al273  1  0.367708  0.469374  0.567237  1
  Al  Al274  1  0.291411  0.866723  0.544026  1
  Al  Al275  1  0.320466  0.867056  0.593602  1
  Al  Al276  1  0.120094  0.866788  0.574648  1
  Al  Al277  1  0.653058  0.233437  0.689861  1
  Al  Al278  1  0.586477  0.234272  0.592557  1
  Al  Al279  1  0.991934  0.234064  0.628834  1
  Al  Al280  1  0.333554  0.101718  0.650505  1
  Al  Al281  1  0.900929  0.101683  0.548788  1
  Al  Al282  1  0.498125  0.101723  0.512864  1
  Al  Al283  1  0.777897  0.333634  0.685130  1
  Al  Al284  1  0.543556  0.333523  0.620250  1
  Al  Al285  1  0.909377  0.333544  0.606409  1
  Al  Al286  1  0.208208  0.001681  0.655694  1
  Al  Al287  1  0.943104  0.002197  0.521292  1
  Al  Al288  1  0.579403  0.002171  0.535019  1
  Al  Al289  1  0.537499  0.734819  0.510696  1
  Al  Al290  1  0.424970  0.401872  0.689253  1
  Al  Al291  1  0.107476  0.393916  0.673644  1
  Al  Al292  1  0.705741  0.401552  0.545685  1
  Al  Al293  1  0.569191  0.601048  0.517031  1
  Al  Al294  1  0.880669  0.601433  0.532789  1
  Al  Al295  1  0.285194  0.606121  0.661767  1
  Al  Al296  1  0.318512  0.734413  0.660434  1
  Al  Al297  1  0.872736  0.734803  0.542061  1
  Al  Al298  1  0.448846  0.269078  0.696324  1
  Al  Al299  1  0.665983  0.267883  0.548715  1
  Al  Al300  1  0.117553  0.266772  0.668067  1
  Al  Al301  1  0.697022  0.802862  0.530601  1
  Al  Al302  1  0.167640  0.803950  0.680107  1
  Al  Al303  1  0.363555  0.806145  0.698553  1
  Al  Al304  1  0.292081  0.199294  0.677938  1
  Al  Al305  1  0.820727  0.199924  0.526718  1
  Al  Al306  1  0.620649  0.200066  0.507787  1
  Al  Al307  1  0.156238  0.567689  0.624805  1
  Al  Al308  1  0.087674  0.567727  0.526056  1
  Al  Al309  1  0.490315  0.567425  0.561892  1
  Al  Al310  1  0.834306  0.434935  0.583884  1
  Al  Al311  1  0.903061  0.433960  0.681092  1
  Al  Al312  1  0.499605  0.434729  0.645841  1
  Al  Al313  1  0.278709  0.668036  0.619239  1
  Al  Al314  1  0.045432  0.667233  0.553500  1
  Al  Al315  1  0.409085  0.667119  0.539630  1
  Al  Al316  1  0.709596  0.335372  0.588883  1
  Al  Al317  1  0.942581  0.333735  0.654705  1
  Al  Al318  1  0.580098  0.334534  0.668020  1
