# generated using pymatgen
data_Mg17Al12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47652778
_cell_length_b   10.47652778
_cell_length_c   52.48740610
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg17Al12
_chemical_formula_sum   'Mg68 Al48'
_cell_volume   5760.89352179
_cell_formula_units_Z   4
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  1.001369  0.001369  0.305516  1
  Mg  Mg2  1  0.329391  0.329391  0.436206  1
  Mg  Mg3  1  0.675503  0.327235  0.365970  1
  Mg  Mg4  1  0.828826  0.173913  0.467623  1
  Mg  Mg5  1  0.673347  0.673347  0.436206  1
  Mg  Mg6  1  0.857807  0.857807  0.393968  1
  Mg  Mg7  1  0.145432  0.857306  0.410556  1
  Mg  Mg8  1  0.857306  0.145432  0.410556  1
  Mg  Mg9  1  0.644167  0.960607  0.430697  1
  Mg  Mg10  1  0.643114  0.042122  0.373429  1
  Mg  Mg11  1  0.542166  0.144984  0.473288  1
  Mg  Mg12  1  0.960607  0.644167  0.430697  1
  Mg  Mg13  1  0.460572  0.857754  0.473288  1
  Mg  Mg14  1  0.857754  0.460572  0.473288  1
  Mg  Mg15  1  0.856980  0.539701  0.330047  1
  Mg  Mg16  1  0.539701  0.856980  0.330047  1
  Mg  Mg17  1  0.644588  0.644588  0.493913  1
  Mg  Mg18  1  0.501369  0.501369  0.400355  1
  Mg  Mg19  1  0.827625  0.827625  0.338527  1
  Mg  Mg20  1  0.173913  0.828826  0.467623  1
  Mg  Mg21  1  0.327235  0.675503  0.365970  1
  Mg  Mg22  1  0.175113  0.175113  0.338527  1
  Mg  Mg23  1  0.358151  0.358151  0.493913  1
  Mg  Mg24  1  0.642850  0.359888  0.308411  1
  Mg  Mg25  1  0.359888  0.642850  0.308411  1
  Mg  Mg26  1  0.145758  0.463037  0.330047  1
  Mg  Mg27  1  0.144984  0.542166  0.473288  1
  Mg  Mg28  1  0.042122  0.643114  0.373429  1
  Mg  Mg29  1  0.463037  0.145758  0.330047  1
  Mg  Mg30  1  0.960616  0.359624  0.373429  1
  Mg  Mg31  1  0.359624  0.960616  0.373429  1
  Mg  Mg32  1  0.358571  0.042132  0.430697  1
  Mg  Mg33  1  0.042132  0.358571  0.430697  1
  Mg  Mg34  1  0.144931  0.144931  0.393968  1
  Mg  Mg35  1  1.001369  0.001369  0.502129  1
  Mg  Mg36  1  0.327071  0.327071  0.638211  1
  Mg  Mg37  1  0.673336  0.329402  0.567958  1
  Mg  Mg38  1  0.832915  0.169823  0.666878  1
  Mg  Mg39  1  0.675667  0.675667  0.638211  1
  Mg  Mg40  1  0.857549  0.857549  0.593538  1
  Mg  Mg41  1  0.145174  0.857564  0.610485  1
  Mg  Mg42  1  0.857564  0.145174  0.610485  1
  Mg  Mg43  1  0.642571  0.960409  0.630460  1
  Mg  Mg44  1  0.644204  0.042214  0.573406  1
  Mg  Mg45  1  0.541832  0.145859  0.673994  1
  Mg  Mg46  1  0.960409  0.642571  0.630460  1
  Mg  Mg47  1  0.460906  0.856879  0.673994  1
  Mg  Mg48  1  0.856879  0.460906  0.673994  1
  Mg  Mg49  1  0.857724  0.542106  0.530887  1
  Mg  Mg50  1  0.542106  0.857724  0.530887  1
  Mg  Mg51  1  0.640170  0.640170  0.695656  1
  Mg  Mg52  1  0.501369  0.501369  0.603793  1
  Mg  Mg53  1  0.828778  0.828778  0.536523  1
  Mg  Mg54  1  0.169823  0.832915  0.666878  1
  Mg  Mg55  1  0.329402  0.673336  0.567958  1
  Mg  Mg56  1  0.173960  0.173960  0.536523  1
  Mg  Mg57  1  0.362568  0.362568  0.695656  1
  Mg  Mg58  1  0.644632  0.358106  0.510264  1
  Mg  Mg59  1  0.358106  0.644632  0.510264  1
  Mg  Mg60  1  0.145014  0.460632  0.530887  1
  Mg  Mg61  1  0.145859  0.541832  0.673994  1
  Mg  Mg62  1  0.042214  0.644204  0.573406  1
  Mg  Mg63  1  0.460632  0.145014  0.530887  1
  Mg  Mg64  1  0.960524  0.358534  0.573406  1
  Mg  Mg65  1  0.358534  0.960524  0.573406  1
  Mg  Mg66  1  0.360167  0.042329  0.630460  1
  Mg  Mg67  1  0.042329  0.360167  0.630460  1
  Mg  Mg68  1  0.145189  0.145189  0.593538  1
  Al  Al69  1  0.592479  0.592479  0.345438  1
  Al  Al70  1  0.910757  0.091981  0.359304  1
  Al  Al71  1  0.091981  0.910757  0.359304  1
  Al  Al72  1  0.911070  0.722416  0.483945  1
  Al  Al73  1  0.916935  0.273784  0.321346  1
  Al  Al74  1  0.273784  0.916935  0.321346  1
  Al  Al75  1  0.722416  0.911070  0.483945  1
  Al  Al76  1  0.223208  0.591390  0.419729  1
  Al  Al77  1  0.591390  0.223208  0.419729  1
  Al  Al78  1  0.591217  0.779875  0.383554  1
  Al  Al79  1  0.280322  0.091668  0.483945  1
  Al  Al80  1  0.910895  0.910895  0.446167  1
  Al  Al81  1  0.091844  0.091844  0.446167  1
  Al  Al82  1  0.410871  0.591867  0.457681  1
  Al  Al83  1  0.591867  0.410871  0.457681  1
  Al  Al84  1  0.411521  0.222863  0.383554  1
  Al  Al85  1  0.411348  0.779530  0.419729  1
  Al  Al86  1  0.779530  0.411348  0.419729  1
  Al  Al87  1  0.222863  0.411521  0.383554  1
  Al  Al88  1  0.728954  0.085803  0.321346  1
  Al  Al89  1  0.085803  0.728954  0.321346  1
  Al  Al90  1  0.091668  0.280322  0.483945  1
  Al  Al91  1  0.779875  0.591217  0.383554  1
  Al  Al92  1  0.410259  0.410259  0.345438  1
  Al  Al93  1  0.591879  0.591879  0.546507  1
  Al  Al94  1  0.910810  0.091929  0.558078  1
  Al  Al95  1  0.091929  0.910810  0.558078  1
  Al  Al96  1  0.913037  0.726418  0.682195  1
  Al  Al97  1  0.911143  0.280175  0.520183  1
  Al  Al98  1  0.280175  0.911143  0.520183  1
  Al  Al99  1  0.726418  0.913037  0.682195  1
  Al  Al100  1  0.222827  0.591382  0.620565  1
  Al  Al101  1  0.591382  0.222827  0.620565  1
  Al  Al102  1  0.591595  0.779575  0.584475  1
  Al  Al103  1  0.276320  0.089701  0.682195  1
  Al  Al104  1  0.910411  0.910411  0.644705  1
  Al  Al105  1  0.092327  0.092327  0.644705  1
  Al  Al106  1  0.410363  0.592375  0.658498  1
  Al  Al107  1  0.592375  0.410363  0.658498  1
  Al  Al108  1  0.411143  0.223163  0.584475  1
  Al  Al109  1  0.411356  0.779911  0.620565  1
  Al  Al110  1  0.779911  0.411356  0.620565  1
  Al  Al111  1  0.223163  0.411143  0.584475  1
  Al  Al112  1  0.722563  0.091595  0.520183  1
  Al  Al113  1  0.091595  0.722563  0.520183  1
  Al  Al114  1  0.089701  0.276320  0.682195  1
  Al  Al115  1  0.779575  0.591595  0.584475  1
  Al  Al116  1  0.410859  0.410859  0.546507  1
