# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68661049
_cell_length_b   9.68861957
_cell_length_c   49.74710583
_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   4574.43199879
_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  0.941687  0.687272  0.349457  1
  Mg  Mg2  1  0.441687  0.187272  0.349457  1
  Mg  Mg3  1  0.518874  0.773453  0.311401  1
  Mg  Mg4  1  0.018874  0.273453  0.311401  1
  Mg  Mg5  1  0.686947  0.942011  0.349456  1
  Mg  Mg6  1  0.186947  0.442011  0.349456  1
  Mg  Mg7  1  0.273147  0.019201  0.311400  1
  Mg  Mg8  1  0.773147  0.519201  0.311400  1
  Mg  Mg9  1  0.982075  0.982404  0.329459  1
  Mg  Mg10  1  0.482075  0.482404  0.329459  1
  Mg  Mg11  1  0.573927  0.074211  0.294970  1
  Mg  Mg12  1  0.073927  0.574211  0.294970  1
  Mg  Mg13  1  0.773775  0.524123  0.419018  1
  Mg  Mg14  1  0.273775  0.024123  0.419018  1
  Mg  Mg15  1  0.358686  0.606421  0.383345  1
  Mg  Mg16  1  0.858686  0.106421  0.383345  1
  Mg  Mg17  1  0.523772  0.774127  0.419017  1
  Mg  Mg18  1  0.023772  0.274127  0.419017  1
  Mg  Mg19  1  0.106078  0.859032  0.383345  1
  Mg  Mg20  1  0.606078  0.359032  0.383345  1
  Mg  Mg21  1  0.815969  0.816310  0.401560  1
  Mg  Mg22  1  0.315969  0.316310  0.401560  1
  Mg  Mg23  1  0.399323  0.899660  0.365382  1
  Mg  Mg24  1  0.899323  0.399660  0.365382  1
  Mg  Mg25  1  0.606688  0.356841  0.491005  1
  Mg  Mg26  1  0.106688  0.856841  0.491005  1
  Mg  Mg27  1  0.190233  0.440313  0.455349  1
  Mg  Mg28  1  0.690233  0.940313  0.455349  1
  Mg  Mg29  1  0.356466  0.607063  0.491004  1
  Mg  Mg30  1  0.856466  0.107063  0.491004  1
  Mg  Mg31  1  0.939953  0.690594  0.455349  1
  Mg  Mg32  1  0.439953  0.190594  0.455349  1
  Mg  Mg33  1  0.648285  0.648653  0.473025  1
  Mg  Mg34  1  0.148285  0.148653  0.473025  1
  Mg  Mg35  1  0.232087  0.732445  0.436969  1
  Mg  Mg36  1  0.732087  0.232445  0.436969  1
  Mg  Mg37  1  0.439328  0.189848  0.562902  1
  Mg  Mg38  1  0.939328  0.689848  0.562902  1
  Mg  Mg39  1  0.022922  0.273464  0.526896  1
  Mg  Mg40  1  0.522922  0.773464  0.526896  1
  Mg  Mg41  1  0.189452  0.439723  0.562902  1
  Mg  Mg42  1  0.689452  0.939723  0.562902  1
  Mg  Mg43  1  0.773079  0.523307  0.526896  1
  Mg  Mg44  1  0.273079  0.023307  0.526896  1
  Mg  Mg45  1  0.481150  0.481541  0.544791  1
  Mg  Mg46  1  0.981150  0.981541  0.544791  1
  Mg  Mg47  1  0.064809  0.565188  0.509093  1
  Mg  Mg48  1  0.564809  0.065188  0.509093  1
  Mg  Mg49  1  0.270885  0.023786  0.634140  1
  Mg  Mg50  1  0.770885  0.523786  0.634140  1
  Mg  Mg51  1  0.855928  0.106164  0.598588  1
  Mg  Mg52  1  0.355928  0.606164  0.598588  1
  Mg  Mg53  1  0.023367  0.271302  0.634141  1
  Mg  Mg54  1  0.523367  0.771302  0.634141  1
  Mg  Mg55  1  0.605755  0.356338  0.598588  1
  Mg  Mg56  1  0.105755  0.856338  0.598588  1
  Mg  Mg57  1  0.313852  0.314263  0.616841  1
  Mg  Mg58  1  0.813852  0.814263  0.616841  1
  Mg  Mg59  1  0.897508  0.397910  0.580856  1
  Mg  Mg60  1  0.397508  0.897910  0.580856  1
  Mg  Mg61  1  0.103135  0.852552  0.706090  1
  Mg  Mg62  1  0.603135  0.352552  0.706090  1
  Mg  Mg63  1  0.688812  0.939155  0.670644  1
  Mg  Mg64  1  0.188812  0.439155  0.670644  1
  Mg  Mg65  1  0.852068  0.103613  0.706092  1
  Mg  Mg66  1  0.352068  0.603613  0.706092  1
  Mg  Mg67  1  0.438734  0.189228  0.670645  1
  Mg  Mg68  1  0.938734  0.689228  0.670645  1
  Mg  Mg69  1  0.146919  0.147360  0.688617  1
  Mg  Mg70  1  0.646919  0.647360  0.688617  1
  Mg  Mg71  1  0.730091  0.230519  0.651570  1
  Mg  Mg72  1  0.230091  0.730519  0.651570  1
  Al  Al73  1  0.811190  0.811490  0.300718  1
  Al  Al74  1  0.311190  0.311490  0.300718  1
  Al  Al75  1  0.231976  0.732308  0.332172  1
  Al  Al76  1  0.731976  0.232308  0.332172  1
  Al  Al77  1  0.649241  0.649576  0.365578  1
  Al  Al78  1  0.149241  0.149576  0.365578  1
  Al  Al79  1  0.065541  0.565883  0.402141  1
  Al  Al80  1  0.565541  0.065883  0.402141  1
  Al  Al81  1  0.482132  0.482489  0.437288  1
  Al  Al82  1  0.982132  0.982489  0.437288  1
  Al  Al83  1  0.898248  0.398615  0.473058  1
  Al  Al84  1  0.398248  0.898615  0.473058  1
  Al  Al85  1  0.314745  0.315124  0.509045  1
  Al  Al86  1  0.814745  0.815124  0.509045  1
  Al  Al87  1  0.731210  0.231601  0.544835  1
  Al  Al88  1  0.231210  0.731601  0.544835  1
  Al  Al89  1  0.147684  0.148086  0.580552  1
  Al  Al90  1  0.647684  0.648086  0.580552  1
  Al  Al91  1  0.563758  0.064170  0.616511  1
  Al  Al92  1  0.063758  0.564170  0.616511  1
  Al  Al93  1  0.980534  0.980962  0.651875  1
  Al  Al94  1  0.480534  0.480962  0.651875  1
  Al  Al95  1  0.395404  0.895838  0.685215  1
  Al  Al96  1  0.895404  0.395838  0.685215  1
