# generated using pymatgen
data_Mg41Al67
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.11483708
_cell_length_b   12.11483708
_cell_length_c   66.96714673
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg41Al67
_chemical_formula_sum   'Mg82 Al134'
_cell_volume   9828.71974497
_cell_formula_units_Z   2
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  0.838593  0.885882  0.303545  1
  Mg  Mg2  1  0.840431  0.713009  0.404620  1
  Mg  Mg3  1  0.335993  0.388090  0.438711  1
  Mg  Mg4  1  0.164253  0.389187  0.404620  1
  Mg  Mg5  1  0.502342  0.051098  0.405408  1
  Mg  Mg6  1  0.668691  0.388090  0.438711  1
  Mg  Mg7  1  0.337126  0.714847  0.303545  1
  Mg  Mg8  1  0.839905  0.713535  0.337181  1
  Mg  Mg9  1  0.670329  0.883111  0.336780  1
  Mg  Mg10  1  0.668691  0.714106  0.438711  1
  Mg  Mg11  1  0.502342  0.875319  0.370771  1
  Mg  Mg12  1  0.839334  0.884749  0.438711  1
  Mg  Mg13  1  0.165350  0.217447  0.438711  1
  Mg  Mg14  1  0.334355  0.219085  0.336780  1
  Mg  Mg15  1  0.838593  0.216314  0.303545  1
  Mg  Mg16  1  0.502342  0.051098  0.267165  1
  Mg  Mg17  1  0.839905  0.388661  0.337181  1
  Mg  Mg18  1  0.335993  0.714106  0.438711  1
  Mg  Mg19  1  0.670329  0.219085  0.336780  1
  Mg  Mg20  1  0.337126  0.387349  0.303545  1
  Mg  Mg21  1  0.334355  0.883111  0.336780  1
  Mg  Mg22  1  0.839334  0.217447  0.438711  1
  Mg  Mg23  1  0.840431  0.389187  0.404620  1
  Mg  Mg24  1  0.671672  0.881768  0.404661  1
  Mg  Mg25  1  0.326563  0.051098  0.370771  1
  Mg  Mg26  1  0.164780  0.388661  0.337181  1
  Mg  Mg27  1  0.667558  0.387349  0.303545  1
  Mg  Mg28  1  0.502342  0.551098  0.370817  1
  Mg  Mg29  1  0.333012  0.881768  0.404661  1
  Mg  Mg30  1  0.165350  0.884749  0.438711  1
  Mg  Mg31  1  0.502342  0.051098  0.335702  1
  Mg  Mg32  1  0.333012  0.220428  0.404661  1
  Mg  Mg33  1  0.678121  0.051098  0.370771  1
  Mg  Mg34  1  0.166091  0.216314  0.303545  1
  Mg  Mg35  1  0.166091  0.885882  0.303545  1
  Mg  Mg36  1  0.164780  0.713535  0.337181  1
  Mg  Mg37  1  0.002342  0.051098  0.370817  1
  Mg  Mg38  1  0.667558  0.714847  0.303545  1
  Mg  Mg39  1  0.164253  0.713009  0.404620  1
  Mg  Mg40  1  0.502342  0.226877  0.370771  1
  Mg  Mg41  1  0.671672  0.220428  0.404661  1
  Mg  Mg42  1  0.839644  0.884571  0.503827  1
  Mg  Mg43  1  0.835733  0.717707  0.604841  1
  Mg  Mg44  1  0.338935  0.391456  0.640165  1
  Mg  Mg45  1  0.168952  0.384489  0.604841  1
  Mg  Mg46  1  0.502342  0.051098  0.604518  1
  Mg  Mg47  1  0.665749  0.391456  0.640165  1
  Mg  Mg48  1  0.335815  0.713796  0.503827  1
  Mg  Mg49  1  0.840671  0.712769  0.537878  1
  Mg  Mg50  1  0.671466  0.881974  0.537709  1
  Mg  Mg51  1  0.665749  0.710740  0.640165  1
  Mg  Mg52  1  0.502342  0.875133  0.571539  1
  Mg  Mg53  1  0.842700  0.887691  0.640165  1
  Mg  Mg54  1  0.161984  0.214505  0.640165  1
  Mg  Mg55  1  0.333218  0.220222  0.537709  1
  Mg  Mg56  1  0.839644  0.217625  0.503827  1
  Mg  Mg57  1  0.502342  0.051098  0.471294  1
  Mg  Mg58  1  0.840671  0.389427  0.537878  1
  Mg  Mg59  1  0.338935  0.710740  0.640165  1
  Mg  Mg60  1  0.671466  0.220222  0.537709  1
  Mg  Mg61  1  0.335815  0.388400  0.503827  1
  Mg  Mg62  1  0.333218  0.881974  0.537709  1
  Mg  Mg63  1  0.842700  0.214505  0.640165  1
  Mg  Mg64  1  0.835733  0.384489  0.604841  1
  Mg  Mg65  1  0.672588  0.880852  0.605638  1
  Mg  Mg66  1  0.326377  0.051098  0.571539  1
  Mg  Mg67  1  0.164013  0.389427  0.537878  1
  Mg  Mg68  1  0.668869  0.388400  0.503827  1
  Mg  Mg69  1  0.502342  0.551098  0.573004  1
  Mg  Mg70  1  0.332096  0.880852  0.605638  1
  Mg  Mg71  1  0.161984  0.887691  0.640165  1
  Mg  Mg72  1  0.502342  0.051098  0.536790  1
  Mg  Mg73  1  0.332096  0.221344  0.605638  1
  Mg  Mg74  1  0.678307  1.051098  0.571539  1
  Mg  Mg75  1  0.165040  0.217625  0.503827  1
  Mg  Mg76  1  0.165040  0.884571  0.503827  1
  Mg  Mg77  1  0.164013  0.712769  0.537878  1
  Mg  Mg78  1  0.002342  0.051098  0.573004  1
  Mg  Mg79  1  0.668869  0.713796  0.503827  1
  Mg  Mg80  1  0.168952  0.717707  0.604841  1
  Mg  Mg81  1  0.502342  0.227063  0.571539  1
  Mg  Mg82  1  0.672588  0.221344  0.605638  1
  Al  Al83  1  0.002342  0.711183  0.302822  1
  Al  Al84  1  0.664503  0.551098  0.337370  1
  Al  Al85  1  0.163881  0.389559  0.271973  1
  Al  Al86  1  0.835460  0.551098  0.370843  1
  Al  Al87  1  0.838933  0.224105  0.370797  1
  Al  Al88  1  0.675349  0.387689  0.370797  1
  Al  Al89  1  0.002342  0.717980  0.370843  1
  Al  Al90  1  0.163126  0.051098  0.405135  1
  Al  Al91  1  0.502342  0.551098  0.438974  1
  Al  Al92  1  0.169224  0.551098  0.370843  1
  Al  Al93  1  0.838933  0.878091  0.370797  1
  Al  Al94  1  0.002342  0.889149  0.404347  1
  Al  Al95  1  0.831066  0.051098  0.271672  1
  Al  Al96  1  0.337029  0.051098  0.438981  1
  Al  Al97  1  0.672229  0.881211  0.271732  1
  Al  Al98  1  0.336201  0.551098  0.271811  1
  Al  Al99  1  0.341011  0.051098  0.301548  1
  Al  Al100  1  0.002342  0.884957  0.271811  1
  Al  Al101  1  0.002342  0.213047  0.404347  1
  Al  Al102  1  0.002342  0.384216  0.370843  1
  Al  Al103  1  0.162427  0.551098  0.302822  1
  Al  Al104  1  0.002342  0.888937  0.337370  1
  Al  Al105  1  0.002342  0.709834  0.439540  1
  Al  Al106  1  0.165751  0.878091  0.370797  1
  Al  Al107  1  0.329335  0.387689  0.370797  1
  Al  Al108  1  0.675349  0.714507  0.370797  1
  Al  Al109  1  0.332455  0.881211  0.271732  1
  Al  Al110  1  0.502342  0.390125  0.336661  1
  Al  Al111  1  0.165751  0.224105  0.370797  1
  Al  Al112  1  0.502342  0.711881  0.405135  1
  Al  Al113  1  0.340181  0.551098  0.337370  1
  Al  Al114  1  0.002342  0.551098  0.273278  1
  Al  Al115  1  0.002342  0.051098  0.303120  1
  Al  Al116  1  0.002342  0.392362  0.439540  1
  Al  Al117  1  0.842257  0.551098  0.302822  1
  Al  Al118  1  0.329335  0.714507  0.370797  1
  Al  Al119  1  0.840803  0.389559  0.271973  1
  Al  Al120  1  0.002342  0.051098  0.438974  1
  Al  Al121  1  0.502342  0.212429  0.301548  1
  Al  Al122  1  0.502342  0.216411  0.438981  1
  Al  Al123  1  0.002342  0.551098  0.336890  1
  Al  Al124  1  0.002342  0.551098  0.404785  1
  Al  Al125  1  0.664291  0.551098  0.404347  1
  Al  Al126  1  0.502342  0.712071  0.336661  1
  Al  Al127  1  0.340393  0.551098  0.404347  1
  Al  Al128  1  0.502342  0.889767  0.301548  1
  Al  Al129  1  0.502342  0.885785  0.438981  1
  Al  Al130  1  0.502342  0.390315  0.405135  1
  Al  Al131  1  0.161078  0.551098  0.439540  1
  Al  Al132  1  0.841369  0.051098  0.336661  1
  Al  Al133  1  0.667655  0.051098  0.438981  1
  Al  Al134  1  0.173618  0.051098  0.271672  1
  Al  Al135  1  0.163315  0.051098  0.336661  1
  Al  Al136  1  0.841559  0.051098  0.405135  1
  Al  Al137  1  0.672229  0.220985  0.271732  1
  Al  Al138  1  0.668483  0.551098  0.271811  1
  Al  Al139  1  0.502342  0.722374  0.271672  1
  Al  Al140  1  0.002342  0.213259  0.337370  1
  Al  Al141  1  0.002342  0.391013  0.302822  1
  Al  Al142  1  0.163881  0.712637  0.271973  1
  Al  Al143  1  0.502342  0.551098  0.303120  1
  Al  Al144  1  0.663673  0.051098  0.301548  1
  Al  Al145  1  0.332455  0.220985  0.271732  1
  Al  Al146  1  0.840803  0.712637  0.271973  1
  Al  Al147  1  0.843606  0.551098  0.439540  1
  Al  Al148  1  0.002342  0.217239  0.271811  1
  Al  Al149  1  0.502342  0.379822  0.271672  1
  Al  Al150  1  0.002342  0.709703  0.502963  1
  Al  Al151  1  0.663479  0.551098  0.538402  1
  Al  Al152  1  0.163825  0.389615  0.471251  1
  Al  Al153  1  0.834905  0.551098  0.571684  1
  Al  Al154  1  0.839031  0.223089  0.571322  1
  Al  Al155  1  0.674333  0.387787  0.571322  1
  Al  Al156  1  0.002342  0.718535  0.571684  1
  Al  Al157  1  0.169949  0.051098  0.605538  1
  Al  Al158  1  0.502342  0.551098  0.631012  1
  Al  Al159  1  0.169779  0.551098  0.571684  1
  Al  Al160  1  0.839031  0.879107  0.571322  1
  Al  Al161  1  0.002342  0.884164  0.604714  1
  Al  Al162  1  0.832147  0.051098  0.471265  1
  Al  Al163  1  0.341646  0.051098  0.636945  1
  Al  Al164  1  0.670019  0.883421  0.471278  1
  Al  Al165  1  0.335831  0.551098  0.471247  1
  Al  Al166  1  0.336482  0.051098  0.503458  1
  Al  Al167  1  0.002342  0.884587  0.471247  1
  Al  Al168  1  1.002342  0.218032  0.604714  1
  Al  Al169  1  1.002342  0.383661  0.571684  1
  Al  Al170  1  0.160947  0.551098  0.502963  1
  Al  Al171  1  0.002342  0.889961  0.538402  1
  Al  Al172  1  0.002342  0.707934  0.635524  1
  Al  Al173  1  0.165653  0.879107  0.571322  1
  Al  Al174  1  0.330351  0.387787  0.571322  1
  Al  Al175  1  0.674333  0.714409  0.571322  1
  Al  Al176  1  0.334665  0.883421  0.471278  1
  Al  Al177  1  0.502342  0.391579  0.537528  1
  Al  Al178  1  0.165653  0.223089  0.571322  1
  Al  Al179  1  0.502342  0.718705  0.605538  1
  Al  Al180  1  0.341205  0.551098  0.538402  1
  Al  Al181  1  0.002342  0.551098  0.471247  1
  Al  Al182  1  0.002342  0.051098  0.503579  1
  Al  Al183  1  1.002342  0.394262  0.635524  1
  Al  Al184  1  0.843737  0.551098  0.502963  1
  Al  Al185  1  0.330351  0.714409  0.571322  1
  Al  Al186  1  0.840859  0.389615  0.471251  1
  Al  Al187  1  0.002342  0.051098  0.631012  1
  Al  Al188  1  0.502342  0.216958  0.503458  1
  Al  Al189  1  0.502342  0.211794  0.636945  1
  Al  Al190  1  0.002342  0.551098  0.537896  1
  Al  Al191  1  0.002342  0.551098  0.603121  1
  Al  Al192  1  0.669276  0.551098  0.604714  1
  Al  Al193  1  0.502342  0.710617  0.537528  1
  Al  Al194  1  0.335408  0.551098  0.604714  1
  Al  Al195  1  0.502342  0.885238  0.503458  1
  Al  Al196  1  0.502342  0.890402  0.636945  1
  Al  Al197  1  0.502342  0.383491  0.605538  1
  Al  Al198  1  0.159178  0.551098  0.635524  1
  Al  Al199  1  0.842823  1.051098  0.537528  1
  Al  Al200  1  0.663038  1.051098  0.636945  1
  Al  Al201  1  0.172537  0.051098  0.471265  1
  Al  Al202  1  0.161861  0.051098  0.537528  1
  Al  Al203  1  0.834735  1.051098  0.605538  1
  Al  Al204  1  0.670019  0.218775  0.471278  1
  Al  Al205  1  0.668853  0.551098  0.471247  1
  Al  Al206  1  0.502342  0.721293  0.471265  1
  Al  Al207  1  1.002342  0.212235  0.538402  1
  Al  Al208  1  1.002342  0.392493  0.502963  1
  Al  Al209  1  0.163825  0.712581  0.471251  1
  Al  Al210  1  0.502342  0.551098  0.503579  1
  Al  Al211  1  0.668202  1.051098  0.503458  1
  Al  Al212  1  0.334665  0.218775  0.471278  1
  Al  Al213  1  0.840859  0.712581  0.471251  1
  Al  Al214  1  0.845506  0.551098  0.635524  1
  Al  Al215  1  0.002342  0.217609  0.471247  1
  Al  Al216  1  0.502342  0.380903  0.471265  1
