# generated using pymatgen
data_Mg41Al67
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.60484970
_cell_length_b   12.60484951
_cell_length_c   50.99173676
_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   8101.68103092
_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  0.342106  0.836906  0.434092  1
  Mg  Mg2  1  0.343449  0.663824  0.313624  1
  Mg  Mg3  1  0.838417  0.340674  0.352264  1
  Mg  Mg4  1  0.663824  0.343449  0.313624  1
  Mg  Mg5  1  1.003636  0.003636  0.306665  1
  Mg  Mg6  1  0.168856  0.340674  0.352264  1
  Mg  Mg7  1  0.836906  0.665167  0.434092  1
  Mg  Mg8  1  0.341707  0.665566  0.477128  1
  Mg  Mg9  1  0.172968  0.834305  0.476343  1
  Mg  Mg10  1  0.168856  0.666599  0.352264  1
  Mg  Mg11  1  1.003636  0.826178  0.263966  1
  Mg  Mg12  1  0.340674  0.838417  0.352264  1
  Mg  Mg13  1  0.666599  0.168856  0.352264  1
  Mg  Mg14  1  0.834305  0.172968  0.476343  1
  Mg  Mg15  1  0.342106  0.170366  0.434092  1
  Mg  Mg16  1  0.003636  1.003636  0.392473  1
  Mg  Mg17  1  0.341707  0.341707  0.477128  1
  Mg  Mg18  1  0.838417  0.666599  0.352264  1
  Mg  Mg19  1  0.172968  0.172968  0.476343  1
  Mg  Mg20  1  0.836906  0.342106  0.434092  1
  Mg  Mg21  1  0.834305  0.834305  0.476343  1
  Mg  Mg22  1  0.340674  0.168856  0.352264  1
  Mg  Mg23  1  0.343449  0.343449  0.313624  1
  Mg  Mg24  1  0.169039  0.838234  0.309757  1
  Mg  Mg25  1  0.826178  0.003636  0.263966  1
  Mg  Mg26  1  0.665566  0.341707  0.477128  1
  Mg  Mg27  1  0.170366  0.342106  0.434092  1
  Mg  Mg28  1  1.003636  0.503636  0.264408  1
  Mg  Mg29  1  0.838234  0.838234  0.309757  1
  Mg  Mg30  1  0.666599  0.838417  0.352264  1
  Mg  Mg31  1  1.003636  0.003636  0.475951  1
  Mg  Mg32  1  0.838234  0.169039  0.309757  1
  Mg  Mg33  1  0.181095  0.003636  0.263966  1
  Mg  Mg34  1  0.665167  0.170366  0.434092  1
  Mg  Mg35  1  0.665167  0.836906  0.434092  1
  Mg  Mg36  1  0.665566  0.665566  0.477128  1
  Mg  Mg37  1  0.503636  0.003636  0.264408  1
  Mg  Mg38  1  0.170366  0.665167  0.434092  1
  Mg  Mg39  1  0.663824  0.663824  0.313624  1
  Mg  Mg40  1  0.003636  0.181095  0.263966  1
  Mg  Mg41  1  0.169039  0.169039  0.309757  1
  Mg  Mg42  1  0.338083  0.834491  0.684826  1
  Mg  Mg43  1  0.341638  0.665635  0.560609  1
  Mg  Mg44  1  0.836860  0.341938  0.603711  1
  Mg  Mg45  1  0.665635  0.341638  0.560609  1
  Mg  Mg46  1  0.003636  1.003636  0.561356  1
  Mg  Mg47  1  0.170413  0.341938  0.603711  1
  Mg  Mg48  1  0.834491  0.669190  0.684826  1
  Mg  Mg49  1  0.342848  0.664425  0.729555  1
  Mg  Mg50  1  0.171236  0.836037  0.730013  1
  Mg  Mg51  1  0.170413  0.665335  0.603711  1
  Mg  Mg52  1  0.003636  0.831710  0.518717  1
  Mg  Mg53  1  0.341938  0.836860  0.603711  1
  Mg  Mg54  1  0.665335  0.170413  0.603711  1
  Mg  Mg55  1  0.836037  0.171236  0.730013  1
  Mg  Mg56  1  0.338083  0.172782  0.684826  1
  Mg  Mg57  1  1.003636  1.003636  0.644319  1
  Mg  Mg58  1  0.342848  0.342848  0.729555  1
  Mg  Mg59  1  0.836860  0.665335  0.603711  1
  Mg  Mg60  1  0.171236  0.171236  0.730013  1
  Mg  Mg61  1  0.834491  0.338083  0.684826  1
  Mg  Mg62  1  0.836037  0.836037  0.730013  1
  Mg  Mg63  1  0.341938  0.170413  0.603711  1
  Mg  Mg64  1  0.341638  0.341638  0.560609  1
  Mg  Mg65  1  0.173149  0.834123  0.561218  1
  Mg  Mg66  1  0.831710  0.003636  0.518717  1
  Mg  Mg67  1  0.664425  0.342848  0.729555  1
  Mg  Mg68  1  0.172782  0.338083  0.684826  1
  Mg  Mg69  1  1.003636  0.503636  0.518773  1
  Mg  Mg70  1  0.834123  0.834123  0.561218  1
  Mg  Mg71  1  0.665335  0.836860  0.603711  1
  Mg  Mg72  1  0.003636  0.003636  0.729253  1
  Mg  Mg73  1  0.834123  0.173149  0.561218  1
  Mg  Mg74  1  0.175563  0.003636  0.518717  1
  Mg  Mg75  1  0.669190  0.172782  0.684826  1
  Mg  Mg76  1  0.669190  0.834491  0.684826  1
  Mg  Mg77  1  0.664425  0.664425  0.729555  1
  Mg  Mg78  1  0.503636  1.003636  0.518773  1
  Mg  Mg79  1  0.172782  0.669190  0.684826  1
  Mg  Mg80  1  0.665635  0.665635  0.560609  1
  Mg  Mg81  1  0.003636  0.175563  0.518717  1
  Mg  Mg82  1  0.173149  0.173149  0.561218  1
  Al  Al83  1  0.503636  0.667192  0.434891  1
  Al  Al84  1  0.170476  0.503636  0.476877  1
  Al  Al85  1  0.668199  0.339074  0.393772  1
  Al  Al86  1  0.341265  0.503636  0.272154  1
  Al  Al87  1  0.343573  0.178364  0.273029  1
  Al  Al88  1  0.178364  0.343573  0.273029  1
  Al  Al89  1  0.503636  0.666008  0.272154  1
  Al  Al90  1  0.666036  1.003636  0.309566  1
  Al  Al91  1  0.003636  0.503636  0.350917  1
  Al  Al92  1  0.666008  0.503636  0.272154  1
  Al  Al93  1  0.343573  0.828909  0.273029  1
  Al  Al94  1  0.503636  0.838145  0.310994  1
  Al  Al95  1  0.337103  0.003636  0.393008  1
  Al  Al96  1  0.836145  0.003636  0.350898  1
  Al  Al97  1  0.171210  0.836063  0.393003  1
  Al  Al98  1  0.838603  0.503636  0.393140  1
  Al  Al99  1  0.834856  1.003636  0.434090  1
  Al  Al100  1  0.503636  0.838603  0.393140  1
  Al  Al101  1  0.503636  0.169128  0.310994  1
  Al  Al102  1  0.503636  0.341265  0.272154  1
  Al  Al103  1  0.667192  0.503636  0.434891  1
  Al  Al104  1  0.503636  0.836797  0.476877  1
  Al  Al105  1  0.503636  0.668099  0.354692  1
  Al  Al106  1  0.663700  0.828909  0.273029  1
  Al  Al107  1  0.828909  0.343573  0.273029  1
  Al  Al108  1  0.178364  0.663700  0.273029  1
  Al  Al109  1  0.836063  0.836063  0.393003  1
  Al  Al110  1  0.003636  0.340648  0.476243  1
  Al  Al111  1  0.663700  0.178364  0.273029  1
  Al  Al112  1  0.003636  0.666036  0.309566  1
  Al  Al113  1  0.836797  0.503636  0.476877  1
  Al  Al114  1  0.503636  0.503636  0.395011  1
  Al  Al115  1  0.503636  0.003636  0.434503  1
  Al  Al116  1  0.503636  0.339174  0.354692  1
  Al  Al117  1  0.340081  0.503636  0.434891  1
  Al  Al118  1  0.828909  0.663700  0.273029  1
  Al  Al119  1  0.339074  0.339074  0.393772  1
  Al  Al120  1  0.503636  1.003636  0.350917  1
  Al  Al121  1  0.003636  0.172417  0.434090  1
  Al  Al122  1  1.003636  0.171128  0.350898  1
  Al  Al123  1  0.503636  0.503636  0.477389  1
  Al  Al124  1  0.503636  0.503636  0.313382  1
  Al  Al125  1  0.169128  0.503636  0.310994  1
  Al  Al126  1  0.003636  0.666625  0.476243  1
  Al  Al127  1  0.838145  0.503636  0.310994  1
  Al  Al128  1  1.003636  0.834856  0.434090  1
  Al  Al129  1  1.003636  0.836145  0.350898  1
  Al  Al130  1  0.003636  0.341237  0.309566  1
  Al  Al131  1  0.668099  0.503636  0.354692  1
  Al  Al132  1  0.340648  1.003636  0.476243  1
  Al  Al133  1  0.171128  0.003636  0.350898  1
  Al  Al134  1  0.670170  0.003636  0.393008  1
  Al  Al135  1  0.666625  1.003636  0.476243  1
  Al  Al136  1  0.341237  1.003636  0.309566  1
  Al  Al137  1  0.171210  0.171210  0.393003  1
  Al  Al138  1  0.168670  0.503636  0.393140  1
  Al  Al139  1  1.003636  0.670170  0.393008  1
  Al  Al140  1  0.503636  0.170476  0.476877  1
  Al  Al141  1  0.503636  0.340081  0.434891  1
  Al  Al142  1  0.668199  0.668199  0.393772  1
  Al  Al143  1  0.003636  0.503636  0.434503  1
  Al  Al144  1  0.172417  1.003636  0.434090  1
  Al  Al145  1  0.836063  0.171210  0.393003  1
  Al  Al146  1  0.339074  0.668199  0.393772  1
  Al  Al147  1  0.339174  0.503636  0.354692  1
  Al  Al148  1  0.503636  0.168670  0.393140  1
  Al  Al149  1  1.003636  0.337103  0.393008  1
  Al  Al150  1  0.503636  0.670228  0.684040  1
  Al  Al151  1  0.165005  0.503636  0.723507  1
  Al  Al152  1  0.666672  0.340601  0.644012  1
  Al  Al153  1  0.338551  0.503636  0.518878  1
  Al  Al154  1  0.340714  0.173296  0.518839  1
  Al  Al155  1  0.173296  0.340714  0.518839  1
  Al  Al156  1  0.503636  0.668722  0.518878  1
  Al  Al157  1  0.666710  0.003636  0.561291  1
  Al  Al158  1  0.003636  0.503636  0.602714  1
  Al  Al159  1  0.668722  0.503636  0.518878  1
  Al  Al160  1  0.340714  0.833977  0.518839  1
  Al  Al161  1  0.503636  0.836664  0.560786  1
  Al  Al162  1  0.335831  0.003636  0.644559  1
  Al  Al163  1  0.834786  1.003636  0.603140  1
  Al  Al164  1  0.170070  0.837203  0.644466  1
  Al  Al165  1  0.836985  0.503636  0.644340  1
  Al  Al166  1  0.836503  0.003636  0.685907  1
  Al  Al167  1  0.503636  0.836985  0.644340  1
  Al  Al168  1  0.503636  0.170609  0.560786  1
  Al  Al169  1  0.503636  0.338551  0.518878  1
  Al  Al170  1  0.670228  0.503636  0.684040  1
  Al  Al171  1  0.503636  0.842268  0.723507  1
  Al  Al172  1  0.503636  0.666872  0.602822  1
  Al  Al173  1  0.666559  0.833977  0.518839  1
  Al  Al174  1  0.833977  0.340714  0.518839  1
  Al  Al175  1  0.173296  0.666559  0.518839  1
  Al  Al176  1  0.837203  0.837203  0.644466  1
  Al  Al177  1  1.003636  0.343990  0.723618  1
  Al  Al178  1  0.666559  0.173296  0.518839  1
  Al  Al179  1  1.003636  0.666710  0.561291  1
  Al  Al180  1  0.842268  0.503636  0.723507  1
  Al  Al181  1  0.503636  0.503636  0.643318  1
  Al  Al182  1  0.503636  1.003636  0.682825  1
  Al  Al183  1  0.503636  0.340401  0.602822  1
  Al  Al184  1  0.337045  0.503636  0.684040  1
  Al  Al185  1  0.833977  0.666559  0.518839  1
  Al  Al186  1  0.340601  0.340601  0.644012  1
  Al  Al187  1  0.503636  0.003636  0.602714  1
  Al  Al188  1  0.003636  0.170770  0.685907  1
  Al  Al189  1  1.003636  0.172487  0.603140  1
  Al  Al190  1  0.503636  0.503636  0.720049  1
  Al  Al191  1  0.503636  0.503636  0.560418  1
  Al  Al192  1  0.170609  0.503636  0.560786  1
  Al  Al193  1  1.003636  0.663283  0.723618  1
  Al  Al194  1  0.836664  0.503636  0.560786  1
  Al  Al195  1  0.003636  0.836503  0.685907  1
  Al  Al196  1  1.003636  0.834786  0.603140  1
  Al  Al197  1  1.003636  0.340563  0.561291  1
  Al  Al198  1  0.666872  0.503636  0.602822  1
  Al  Al199  1  0.343990  1.003636  0.723618  1
  Al  Al200  1  0.172487  1.003636  0.603140  1
  Al  Al201  1  0.671442  0.003636  0.644559  1
  Al  Al202  1  0.663283  1.003636  0.723618  1
  Al  Al203  1  0.340563  0.003636  0.561291  1
  Al  Al204  1  0.170070  0.170070  0.644466  1
  Al  Al205  1  0.170288  0.503636  0.644340  1
  Al  Al206  1  0.003636  0.671442  0.644559  1
  Al  Al207  1  0.503636  0.165005  0.723507  1
  Al  Al208  1  0.503636  0.337045  0.684040  1
  Al  Al209  1  0.666672  0.666672  0.644012  1
  Al  Al210  1  1.003636  0.503636  0.682825  1
  Al  Al211  1  0.170770  0.003636  0.685907  1
  Al  Al212  1  0.837203  0.170070  0.644466  1
  Al  Al213  1  0.340601  0.666672  0.644012  1
  Al  Al214  1  0.340401  0.503636  0.602822  1
  Al  Al215  1  0.503636  0.170288  0.644340  1
  Al  Al216  1  0.003636  0.335831  0.644559  1
