# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.57017342
_cell_length_b   9.59113497
_cell_length_c   49.02543792
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Al
_chemical_formula_sum   'Mg72 Al24'
_cell_volume   4409.06913175
_cell_formula_units_Z   24
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  0.971280  0.713222  0.340228  1
  Mg  Mg2  1  0.471280  0.213222  0.340228  1
  Mg  Mg3  1  0.552761  0.799709  0.303335  1
  Mg  Mg4  1  0.052761  0.299709  0.303335  1
  Mg  Mg5  1  0.716813  0.967713  0.340049  1
  Mg  Mg6  1  0.216813  0.467713  0.340049  1
  Mg  Mg7  1  0.304968  0.048216  0.303343  1
  Mg  Mg8  1  0.804968  0.548216  0.303343  1
  Mg  Mg9  1  0.012397  0.008163  0.320890  1
  Mg  Mg10  1  0.512397  0.508163  0.320890  1
  Mg  Mg11  1  0.427075  0.923208  0.357393  1
  Mg  Mg12  1  0.927075  0.423208  0.357393  1
  Mg  Mg13  1  0.800944  0.548849  0.410918  1
  Mg  Mg14  1  0.300944  0.048849  0.410918  1
  Mg  Mg15  1  0.387192  0.631580  0.375262  1
  Mg  Mg16  1  0.887192  0.131580  0.375262  1
  Mg  Mg17  1  0.551603  0.798026  0.410932  1
  Mg  Mg18  1  0.051603  0.298026  0.410932  1
  Mg  Mg19  1  0.134855  0.884074  0.375309  1
  Mg  Mg20  1  0.634855  0.384074  0.375309  1
  Mg  Mg21  1  0.842926  0.840562  0.393041  1
  Mg  Mg22  1  0.342926  0.340562  0.393041  1
  Mg  Mg23  1  0.258885  0.756333  0.429113  1
  Mg  Mg24  1  0.758885  0.256333  0.429113  1
  Mg  Mg25  1  0.629779  0.378030  0.483247  1
  Mg  Mg26  1  0.129779  0.878030  0.483247  1
  Mg  Mg27  1  0.215412  0.463541  0.447190  1
  Mg  Mg28  1  0.715412  0.963541  0.447190  1
  Mg  Mg29  1  0.379430  0.628141  0.483325  1
  Mg  Mg30  1  0.879430  0.128141  0.483325  1
  Mg  Mg31  1  0.965320  0.713824  0.447112  1
  Mg  Mg32  1  0.465320  0.213824  0.447112  1
  Mg  Mg33  1  0.672687  0.670714  0.465198  1
  Mg  Mg34  1  0.172687  0.170714  0.465198  1
  Mg  Mg35  1  0.085880  0.585836  0.501190  1
  Mg  Mg36  1  0.585880  0.085836  0.501190  1
  Mg  Mg37  1  0.456880  0.207347  0.555447  1
  Mg  Mg38  1  0.956880  0.707347  0.555447  1
  Mg  Mg39  1  0.043435  0.292452  0.519389  1
  Mg  Mg40  1  0.543435  0.792452  0.519389  1
  Mg  Mg41  1  0.206981  0.458233  0.555124  1
  Mg  Mg42  1  0.706981  0.958233  0.555124  1
  Mg  Mg43  1  0.793816  0.542098  0.519410  1
  Mg  Mg44  1  0.293816  0.042098  0.519410  1
  Mg  Mg45  1  0.500897  0.499285  0.537359  1
  Mg  Mg46  1  1.000897  0.999285  0.537359  1
  Mg  Mg47  1  0.914827  0.414016  0.573828  1
  Mg  Mg48  1  0.414827  0.914016  0.573828  1
  Mg  Mg49  1  0.285156  0.037502  0.627698  1
  Mg  Mg50  1  0.785156  0.537502  0.627698  1
  Mg  Mg51  1  0.873050  0.121986  0.591359  1
  Mg  Mg52  1  0.373050  0.621986  0.591359  1
  Mg  Mg53  1  0.039560  0.285237  0.627995  1
  Mg  Mg54  1  0.539560  0.785237  0.627995  1
  Mg  Mg55  1  0.621205  0.371395  0.591650  1
  Mg  Mg56  1  0.121205  0.871395  0.591650  1
  Mg  Mg57  1  0.327295  0.332953  0.609122  1
  Mg  Mg58  1  0.827295  0.832953  0.609122  1
  Mg  Mg59  1  0.745243  0.241490  0.644758  1
  Mg  Mg60  1  0.245243  0.741490  0.644758  1
  Mg  Mg61  1  0.118050  0.867297  0.698503  1
  Mg  Mg62  1  0.618050  0.367297  0.698503  1
  Mg  Mg63  1  0.701831  0.954363  0.663617  1
  Mg  Mg64  1  0.201831  0.454363  0.663617  1
  Mg  Mg65  1  0.865353  0.119570  0.699602  1
  Mg  Mg66  1  0.365353  0.619570  0.699602  1
  Mg  Mg67  1  0.453590  0.205367  0.661147  1
  Mg  Mg68  1  0.953590  0.705367  0.661147  1
  Mg  Mg69  1  0.168733  0.161590  0.683916  1
  Mg  Mg70  1  0.668733  0.661590  0.683916  1
  Mg  Mg71  1  0.536957  0.075297  0.715281  1
  Mg  Mg72  1  0.036957  0.575297  0.715281  1
  Al  Al73  1  0.841790  0.836574  0.292215  1
  Al  Al74  1  0.341790  0.336574  0.292215  1
  Al  Al75  1  0.262121  0.758383  0.323971  1
  Al  Al76  1  0.762121  0.258383  0.323971  1
  Al  Al77  1  0.678303  0.674569  0.356132  1
  Al  Al78  1  0.178303  0.174569  0.356132  1
  Al  Al79  1  0.094204  0.591400  0.393558  1
  Al  Al80  1  0.594204  0.091400  0.393558  1
  Al  Al81  1  0.508067  0.505771  0.429355  1
  Al  Al82  1  0.008067  0.005771  0.429355  1
  Al  Al83  1  0.922743  0.420810  0.465058  1
  Al  Al84  1  0.422743  0.920810  0.465058  1
  Al  Al85  1  0.336296  0.335462  0.501260  1
  Al  Al86  1  0.836296  0.835462  0.501260  1
  Al  Al87  1  0.750491  0.249905  0.537486  1
  Al  Al88  1  0.250491  0.749905  0.537486  1
  Al  Al89  1  0.165113  0.164459  0.573405  1
  Al  Al90  1  0.665113  0.664459  0.573405  1
  Al  Al91  1  0.577882  0.078191  0.609283  1
  Al  Al92  1  0.077882  0.578191  0.609283  1
  Al  Al93  1  0.997842  0.998606  0.646128  1
  Al  Al94  1  0.497842  0.498606  0.646128  1
  Al  Al95  1  0.407157  0.904142  0.677902  1
  Al  Al96  1  0.907157  0.404142  0.677902  1
