# generated using pymatgen
data_Mg41Al67
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.23489436
_cell_length_b   12.24753965
_cell_length_c   52.78989666
_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   7910.42631878
_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  0.163448  0.841779  0.484187  1
  Mg  Mg2  1  0.661067  0.831115  0.441355  1
  Mg  Mg3  1  0.826873  0.339468  0.360602  1
  Mg  Mg4  1  0.660089  0.160906  0.360166  1
  Mg  Mg5  1  0.678516  0.512263  0.272814  1
  Mg  Mg6  1  0.833447  0.659596  0.360160  1
  Mg  Mg7  1  0.153870  0.324118  0.441388  1
  Mg  Mg8  1  0.324681  0.840428  0.441377  1
  Mg  Mg9  1  0.321151  0.660989  0.484142  1
  Mg  Mg10  1  0.840955  0.669680  0.441388  1
  Mg  Mg11  1  0.497413  0.496899  0.483371  1
  Mg  Mg12  1  0.842281  0.830870  0.484188  1
  Mg  Mg13  1  0.832164  0.156146  0.322215  1
  Mg  Mg14  1  0.337593  0.327466  0.317748  1
  Mg  Mg15  1  0.162662  0.837652  0.322215  1
  Mg  Mg16  1  0.997413  0.496899  0.273772  1
  Mg  Mg17  1  0.334736  0.832892  0.360166  1
  Mg  Mg18  1  0.831645  0.333228  0.441360  1
  Mg  Mg19  1  0.328072  0.656822  0.317756  1
  Mg  Mg20  1  0.161378  0.334202  0.360160  1
  Mg  Mg21  1  0.333396  0.320545  0.484142  1
  Mg  Mg22  1  0.838253  0.831561  0.322214  1
  Mg  Mg23  1  0.654824  0.826298  0.360596  1
  Mg  Mg24  1  0.661430  0.673253  0.484142  1
  Mg  Mg25  1  0.512800  0.315753  0.272813  1
  Mg  Mg26  1  0.340002  0.167500  0.360596  1
  Mg  Mg27  1  0.167953  0.654330  0.360602  1
  Mg  Mg28  1  0.497413  0.496899  0.402229  1
  Mg  Mg29  1  0.673675  0.332809  0.484142  1
  Mg  Mg30  1  0.831377  0.152019  0.484187  1
  Mg  Mg31  1  0.316310  0.481535  0.272814  1
  Mg  Mg32  1  0.666754  0.336976  0.317756  1
  Mg  Mg33  1  0.482025  0.678045  0.272813  1
  Mg  Mg34  1  0.156572  0.162237  0.322214  1
  Mg  Mg35  1  0.152544  0.162929  0.484188  1
  Mg  Mg36  1  0.333759  0.162684  0.441355  1
  Mg  Mg37  1  0.497413  0.996899  0.273773  1
  Mg  Mg38  1  0.163180  0.660570  0.441360  1
  Mg  Mg39  1  0.670145  0.153371  0.441377  1
  Mg  Mg40  1  0.497413  0.496899  0.315461  1
  Mg  Mg41  1  0.657232  0.666333  0.317748  1
  Mg  Mg42  1  0.164261  0.849328  0.735887  1
  Mg  Mg43  1  0.657136  0.821550  0.692186  1
  Mg  Mg44  1  0.829819  0.335593  0.611885  1
  Mg  Mg45  1  0.668191  0.154774  0.611915  1
  Mg  Mg46  1  0.674863  0.505702  0.526472  1
  Mg  Mg47  1  0.839567  0.667723  0.611910  1
  Mg  Mg48  1  0.157693  0.322368  0.692240  1
  Mg  Mg49  1  0.322893  0.836639  0.692232  1
  Mg  Mg50  1  0.317264  0.656404  0.737537  1
  Mg  Mg51  1  0.837132  0.671430  0.692240  1
  Mg  Mg52  1  0.497413  0.496899  0.735702  1
  Mg  Mg53  1  0.850094  0.829811  0.735896  1
  Mg  Mg54  1  0.830190  0.152974  0.569175  1
  Mg  Mg55  1  0.334124  0.321294  0.568999  1
  Mg  Mg56  1  0.164635  0.840824  0.569175  1
  Mg  Mg57  1  0.997413  0.496899  0.526684  1
  Mg  Mg58  1  0.326635  0.839024  0.611915  1
  Mg  Mg59  1  0.822065  0.337183  0.692181  1
  Mg  Mg60  1  0.321885  0.660251  0.569001  1
  Mg  Mg61  1  0.155259  0.326075  0.611910  1
  Mg  Mg62  1  0.338198  0.316461  0.737555  1
  Mg  Mg63  1  0.841353  0.829650  0.569175  1
  Mg  Mg64  1  0.658695  0.829256  0.611885  1
  Mg  Mg65  1  0.656628  0.677338  0.737555  1
  Mg  Mg66  1  0.506212  0.319396  0.526473  1
  Mg  Mg67  1  0.336130  0.164542  0.611885  1
  Mg  Mg68  1  0.165007  0.658205  0.611885  1
  Mg  Mg69  1  0.497413  0.496899  0.653367  1
  Mg  Mg70  1  0.677561  0.337394  0.737537  1
  Mg  Mg71  1  0.830565  0.144470  0.735887  1
  Mg  Mg72  1  0.319963  0.488097  0.526472  1
  Mg  Mg73  1  0.672940  0.333547  0.569001  1
  Mg  Mg74  1  0.488613  0.674402  0.526473  1
  Mg  Mg75  1  0.153473  0.164148  0.569175  1
  Mg  Mg76  1  0.144731  0.163987  0.735896  1
  Mg  Mg77  1  0.337690  0.172248  0.692186  1
  Mg  Mg78  1  0.497413  0.996899  0.526687  1
  Mg  Mg79  1  0.172761  0.656615  0.692181  1
  Mg  Mg80  1  0.671933  0.157160  0.692232  1
  Mg  Mg81  1  0.497413  0.496899  0.569601  1
  Mg  Mg82  1  0.660702  0.672504  0.568999  1
  Al  Al83  1  0.155047  0.007249  0.439789  1
  Al  Al84  1  0.330201  0.662491  0.401564  1
  Al  Al85  1  0.991252  0.160305  0.363050  1
  Al  Al86  1  0.494219  0.825676  0.401616  1
  Al  Al87  1  0.489612  0.837143  0.317142  1
  Al  Al88  1  0.489409  0.657358  0.360781  1
  Al  Al89  1  0.497413  0.996899  0.441124  1
  Al  Al90  1  0.677089  0.149012  0.282183  1
  Al  Al91  1  0.826132  0.500119  0.401624  1
  Al  Al92  1  0.500606  0.168123  0.401616  1
  Al  Al93  1  0.484445  0.837832  0.483202  1
  Al  Al94  1  0.659955  0.985116  0.484747  1
  Al  Al95  1  0.002316  0.834593  0.281854  1
  Al  Al96  1  0.831334  0.321343  0.280602  1
  Al  Al97  1  0.009164  0.659411  0.484776  1
  Al  Al98  1  0.994441  0.331589  0.400512  1
  Al  Al99  1  0.149560  0.317167  0.282171  1
  Al  Al100  1  0.997413  0.996899  0.483690  1
  Al  Al101  1  0.656068  0.987313  0.318645  1
  Al  Al102  1  0.497413  0.996899  0.360863  1
  Al  Al103  1  0.158931  0.161423  0.399851  1
  Al  Al104  1  0.334870  0.008682  0.484747  1
  Al  Al105  1  0.839778  0.986549  0.439789  1
  Al  Al106  1  0.510381  0.155967  0.483202  1
  Al  Al107  1  0.505416  0.336441  0.360781  1
  Al  Al108  1  0.486402  0.664576  0.441777  1
  Al  Al109  1  0.985662  0.334387  0.484776  1
  Al  Al110  1  0.336850  0.488875  0.360758  1
  Al  Al111  1  0.505213  0.156656  0.317142  1
  Al  Al112  1  0.665114  0.507932  0.441790  1
  Al  Al113  1  0.331816  0.329676  0.401565  1
  Al  Al114  1  0.997413  0.996899  0.400618  1
  Al  Al115  1  0.159889  0.001813  0.281878  1
  Al  Al116  1  0.833918  0.990728  0.363028  1
  Al  Al117  1  0.161947  0.835392  0.399854  1
  Al  Al118  1  0.508423  0.329222  0.441777  1
  Al  Al119  1  0.003574  0.833493  0.363050  1
  Al  Al120  1  0.834936  0.991985  0.281878  1
  Al  Al121  1  0.157390  0.489083  0.317149  1
  Al  Al122  1  0.837435  0.504716  0.317149  1
  Al  Al123  1  0.332086  -0.000102  0.400505  1
  Al  Al124  1  0.662740  0.993900  0.400505  1
  Al  Al125  1  0.663010  0.664123  0.401565  1
  Al  Al126  1  0.329711  0.485866  0.441790  1
  Al  Al127  1  0.664624  0.331308  0.401564  1
  Al  Al128  1  0.156634  0.483921  0.483188  1
  Al  Al129  1  0.838191  0.509877  0.483188  1
  Al  Al130  1  0.657975  0.504923  0.360758  1
  Al  Al131  1  0.832879  0.158406  0.399854  1
  Al  Al132  1  0.317737  0.844786  0.282183  1
  Al  Al133  1  0.845265  0.676631  0.282171  1
  Al  Al134  1  0.992510  0.159205  0.281854  1
  Al  Al135  1  0.321938  0.162898  0.280625  1
  Al  Al136  1  0.672887  0.830900  0.280625  1
  Al  Al137  1  0.007014  0.655418  0.318612  1
  Al  Al138  1  0.000384  0.662209  0.400512  1
  Al  Al139  1  0.997413  0.496899  0.441137  1
  Al  Al140  1  0.338757  0.006485  0.318645  1
  Al  Al141  1  0.160907  0.003070  0.363028  1
  Al  Al142  1  0.987083  0.154460  0.439778  1
  Al  Al143  1  0.168694  0.493680  0.401624  1
  Al  Al144  1  0.163491  0.672456  0.280602  1
  Al  Al145  1  0.987812  0.338381  0.318612  1
  Al  Al146  1  0.007743  0.839338  0.439778  1
  Al  Al147  1  0.835894  0.832375  0.399851  1
  Al  Al148  1  0.997413  0.996899  0.322466  1
  Al  Al149  1  0.997413  0.496899  0.360858  1
  Al  Al150  1  0.161641  0.012201  0.690981  1
  Al  Al151  1  0.331282  0.661044  0.651787  1
  Al  Al152  1  0.986929  0.155468  0.612727  1
  Al  Al153  1  0.493033  0.824747  0.652502  1
  Al  Al154  1  0.484293  0.837422  0.569903  1
  Al  Al155  1  0.485997  0.661720  0.611870  1
  Al  Al156  1  0.497413  0.996899  0.690792  1
  Al  Al157  1  0.672056  0.153988  0.526611  1
  Al  Al158  1  0.825158  0.501313  0.652502  1
  Al  Al159  1  0.501792  0.169052  0.652502  1
  Al  Al160  1  0.478935  0.839750  0.730978  1
  Al  Al161  1  0.655782  0.978927  0.730334  1
  Al  Al162  1  0.001537  0.831982  0.526773  1
  Al  Al163  1  0.831889  0.322799  0.526637  1
  Al  Al164  1  0.015362  0.654874  0.730351  1
  Al  Al165  1  0.992714  0.330934  0.652535  1
  Al  Al166  1  0.154596  0.322182  0.526609  1
  Al  Al167  1  0.997413  0.996899  0.724781  1
  Al  Al168  1  0.659954  0.984938  0.568766  1
  Al  Al169  1  0.497413  0.996899  0.612445  1
  Al  Al170  1  0.156620  0.159969  0.651705  1
  Al  Al171  1  0.339044  0.014871  0.730334  1
  Al  Al172  1  0.833184  0.981597  0.690981  1
  Al  Al173  1  0.515890  0.154048  0.730978  1
  Al  Al174  1  0.508829  0.332078  0.611870  1
  Al  Al175  1  0.480494  0.660683  0.694505  1
  Al  Al176  1  0.979464  0.338925  0.730351  1
  Al  Al177  1  0.332542  0.485456  0.611859  1
  Al  Al178  1  0.510532  0.156376  0.569903  1
  Al  Al179  1  0.661147  0.513895  0.694526  1
  Al  Al180  1  0.333308  0.330734  0.651793  1
  Al  Al181  1  0.997413  0.996899  0.652796  1
  Al  Al182  1  0.162523  0.001043  0.526775  1
  Al  Al183  1  0.838751  0.986395  0.612712  1
  Al  Al184  1  0.160478  0.837705  0.651706  1
  Al  Al185  1  0.514332  0.333115  0.694505  1
  Al  Al186  1  0.007897  0.838331  0.612727  1
  Al  Al187  1  0.832302  0.992755  0.526775  1
  Al  Al188  1  0.157046  0.483763  0.569920  1
  Al  Al189  1  0.837780  0.510035  0.569920  1
  Al  Al190  1  0.331417  0.001633  0.652530  1
  Al  Al191  1  0.663408  0.992165  0.652530  1
  Al  Al192  1  0.661518  0.663065  0.651793  1
  Al  Al193  1  0.333679  0.479904  0.694526  1
  Al  Al194  1  0.663543  0.332754  0.651787  1
  Al  Al195  1  0.155096  0.478439  0.730964  1
  Al  Al196  1  0.839730  0.515360  0.730964  1
  Al  Al197  1  0.662283  0.508342  0.611859  1
  Al  Al198  1  0.834347  0.156094  0.651706  1
  Al  Al199  1  0.322769  0.839810  0.526611  1
  Al  Al200  1  0.840230  0.671616  0.526609  1
  Al  Al201  1  0.993289  0.161816  0.526773  1
  Al  Al202  1  0.323443  0.162345  0.526639  1
  Al  Al203  1  0.671383  0.831453  0.526639  1
  Al  Al204  1  0.009343  0.659372  0.568733  1
  Al  Al205  1  0.002111  0.662864  0.652535  1
  Al  Al206  1  0.997413  0.496899  0.690798  1
  Al  Al207  1  0.334871  0.008861  0.568766  1
  Al  Al208  1  0.156075  0.007404  0.612712  1
  Al  Al209  1  0.982160  0.161122  0.690975  1
  Al  Al210  1  0.169668  0.492486  0.652502  1
  Al  Al211  1  0.162937  0.670999  0.526637  1
  Al  Al212  1  0.985483  0.334426  0.568733  1
  Al  Al213  1  0.012666  0.832676  0.690975  1
  Al  Al214  1  0.838205  0.833829  0.651705  1
  Al  Al215  1  0.997413  0.996899  0.569356  1
  Al  Al216  1  0.997413  0.496899  0.612443  1
