# generated using pymatgen
data_Mg64Al21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.44479492
_cell_length_b   17.67958301
_cell_length_c   17.67958301
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg64Al21
_chemical_formula_sum   'Mg192 Al63'
_cell_volume   5140.11099134
_cell_formula_units_Z   3
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  0.146158  0.112544  -0.013451  1
  Mg  Mg2  1  0.149246  0.111955  0.237447  1
  Mg  Mg3  1  0.147734  0.111636  0.486549  1
  Mg  Mg4  1  0.149246  0.111955  0.735651  1
  Mg  Mg5  1  0.148526  0.361822  -0.013451  1
  Mg  Mg6  1  0.148084  0.361824  0.236774  1
  Mg  Mg7  1  0.148541  0.361690  0.486549  1
  Mg  Mg8  1  0.148084  0.361824  0.736324  1
  Mg  Mg9  1  0.148526  0.611276  -0.013451  1
  Mg  Mg10  1  0.148084  0.611273  0.236774  1
  Mg  Mg11  1  0.148541  0.611408  0.486549  1
  Mg  Mg12  1  0.148084  0.611273  0.736324  1
  Mg  Mg13  1  0.146158  0.860553  -0.013451  1
  Mg  Mg14  1  0.149246  0.861143  0.237447  1
  Mg  Mg15  1  0.147734  0.861461  0.486549  1
  Mg  Mg16  1  0.149246  0.861143  0.735651  1
  Mg  Mg17  1  0.398086  0.111439  -0.013451  1
  Mg  Mg18  1  0.397421  0.111454  0.236317  1
  Mg  Mg19  1  0.398932  0.111457  0.486549  1
  Mg  Mg20  1  0.397421  0.111454  0.736781  1
  Mg  Mg21  1  0.397885  0.361289  -0.013451  1
  Mg  Mg22  1  0.398479  0.361514  0.236497  1
  Mg  Mg23  1  0.398074  0.361520  0.486549  1
  Mg  Mg24  1  0.398479  0.361514  0.736600  1
  Mg  Mg25  1  0.397885  0.611809  -0.013451  1
  Mg  Mg26  1  0.398479  0.611584  0.236497  1
  Mg  Mg27  1  0.398074  0.611578  0.486549  1
  Mg  Mg28  1  0.398479  0.611584  0.736600  1
  Mg  Mg29  1  0.398086  0.861659  -0.013451  1
  Mg  Mg30  1  0.397421  0.861643  0.236317  1
  Mg  Mg31  1  0.398932  0.861640  0.486549  1
  Mg  Mg32  1  0.397421  0.861643  0.736781  1
  Mg  Mg33  1  0.648079  0.111439  -0.013451  1
  Mg  Mg34  1  0.648744  0.111454  0.236317  1
  Mg  Mg35  1  0.647233  0.111457  0.486549  1
  Mg  Mg36  1  0.648744  0.111454  0.736781  1
  Mg  Mg37  1  0.648280  0.361289  -0.013451  1
  Mg  Mg38  1  0.647686  0.361514  0.236497  1
  Mg  Mg39  1  0.648090  0.361520  0.486549  1
  Mg  Mg40  1  0.647686  0.361514  0.736600  1
  Mg  Mg41  1  0.648280  0.611809  -0.013451  1
  Mg  Mg42  1  0.647686  0.611584  0.236497  1
  Mg  Mg43  1  0.648090  0.611578  0.486549  1
  Mg  Mg44  1  0.647686  0.611584  0.736600  1
  Mg  Mg45  1  0.648079  0.861659  -0.013451  1
  Mg  Mg46  1  0.648744  0.861643  0.236317  1
  Mg  Mg47  1  0.647233  0.861640  0.486549  1
  Mg  Mg48  1  0.648744  0.861643  0.736781  1
  Mg  Mg49  1  0.900007  0.112544  -0.013451  1
  Mg  Mg50  1  0.896918  0.111955  0.237447  1
  Mg  Mg51  1  0.898430  0.111636  0.486549  1
  Mg  Mg52  1  0.896918  0.111955  0.735651  1
  Mg  Mg53  1  0.897639  0.361822  -0.013451  1
  Mg  Mg54  1  0.898080  0.361824  0.236774  1
  Mg  Mg55  1  0.897623  0.361690  0.486549  1
  Mg  Mg56  1  0.898080  0.361824  0.736324  1
  Mg  Mg57  1  0.897639  0.611276  -0.013451  1
  Mg  Mg58  1  0.898080  0.611273  0.236774  1
  Mg  Mg59  1  0.897623  0.611408  0.486549  1
  Mg  Mg60  1  0.898080  0.611273  0.736324  1
  Mg  Mg61  1  0.900007  0.860553  -0.013451  1
  Mg  Mg62  1  0.896918  0.861143  0.237447  1
  Mg  Mg63  1  0.898430  0.861461  0.486549  1
  Mg  Mg64  1  0.896918  0.861143  0.735651  1
  Mg  Mg65  1  0.146158  -0.013451  0.112544  1
  Mg  Mg66  1  0.148526  -0.013451  0.361822  1
  Mg  Mg67  1  0.148526  -0.013451  0.611276  1
  Mg  Mg68  1  0.146158  -0.013451  0.860553  1
  Mg  Mg69  1  0.149246  0.237447  0.111955  1
  Mg  Mg70  1  0.148084  0.236774  0.361824  1
  Mg  Mg71  1  0.148084  0.236774  0.611273  1
  Mg  Mg72  1  0.149246  0.237447  0.861143  1
  Mg  Mg73  1  0.147734  0.486549  0.111636  1
  Mg  Mg74  1  0.148541  0.486549  0.361690  1
  Mg  Mg75  1  0.148541  0.486549  0.611408  1
  Mg  Mg76  1  0.147734  0.486549  0.861461  1
  Mg  Mg77  1  0.149246  0.735651  0.111955  1
  Mg  Mg78  1  0.148084  0.736324  0.361824  1
  Mg  Mg79  1  0.148084  0.736324  0.611273  1
  Mg  Mg80  1  0.149246  0.735651  0.861143  1
  Mg  Mg81  1  0.398086  -0.013451  0.111439  1
  Mg  Mg82  1  0.397885  -0.013451  0.361289  1
  Mg  Mg83  1  0.397885  -0.013451  0.611809  1
  Mg  Mg84  1  0.398086  -0.013451  0.861659  1
  Mg  Mg85  1  0.397421  0.236317  0.111454  1
  Mg  Mg86  1  0.398479  0.236497  0.361514  1
  Mg  Mg87  1  0.398479  0.236497  0.611584  1
  Mg  Mg88  1  0.397421  0.236317  0.861643  1
  Mg  Mg89  1  0.398932  0.486549  0.111457  1
  Mg  Mg90  1  0.398074  0.486549  0.361520  1
  Mg  Mg91  1  0.398074  0.486549  0.611578  1
  Mg  Mg92  1  0.398932  0.486549  0.861640  1
  Mg  Mg93  1  0.397421  0.736781  0.111454  1
  Mg  Mg94  1  0.398479  0.736600  0.361514  1
  Mg  Mg95  1  0.398479  0.736600  0.611584  1
  Mg  Mg96  1  0.397421  0.736781  0.861643  1
  Mg  Mg97  1  0.648079  -0.013451  0.111439  1
  Mg  Mg98  1  0.648280  -0.013451  0.361289  1
  Mg  Mg99  1  0.648280  -0.013451  0.611809  1
  Mg  Mg100  1  0.648079  -0.013451  0.861659  1
  Mg  Mg101  1  0.648744  0.236317  0.111454  1
  Mg  Mg102  1  0.647686  0.236497  0.361514  1
  Mg  Mg103  1  0.647686  0.236497  0.611584  1
  Mg  Mg104  1  0.648744  0.236317  0.861643  1
  Mg  Mg105  1  0.647233  0.486549  0.111457  1
  Mg  Mg106  1  0.648090  0.486549  0.361520  1
  Mg  Mg107  1  0.648090  0.486549  0.611578  1
  Mg  Mg108  1  0.647233  0.486549  0.861640  1
  Mg  Mg109  1  0.648744  0.736781  0.111454  1
  Mg  Mg110  1  0.647686  0.736600  0.361514  1
  Mg  Mg111  1  0.647686  0.736600  0.611584  1
  Mg  Mg112  1  0.648744  0.736781  0.861643  1
  Mg  Mg113  1  0.900007  -0.013451  0.112544  1
  Mg  Mg114  1  0.897639  -0.013451  0.361822  1
  Mg  Mg115  1  0.897639  -0.013451  0.611276  1
  Mg  Mg116  1  0.900007  -0.013451  0.860553  1
  Mg  Mg117  1  0.896918  0.237447  0.111955  1
  Mg  Mg118  1  0.898080  0.236774  0.361824  1
  Mg  Mg119  1  0.898080  0.236774  0.611273  1
  Mg  Mg120  1  0.896918  0.237447  0.861143  1
  Mg  Mg121  1  0.898430  0.486549  0.111636  1
  Mg  Mg122  1  0.897623  0.486549  0.361690  1
  Mg  Mg123  1  0.897623  0.486549  0.611408  1
  Mg  Mg124  1  0.898430  0.486549  0.861461  1
  Mg  Mg125  1  0.896918  0.735651  0.111955  1
  Mg  Mg126  1  0.898080  0.736324  0.361824  1
  Mg  Mg127  1  0.898080  0.736324  0.611273  1
  Mg  Mg128  1  0.896918  0.735651  0.861143  1
  Mg  Mg129  1  0.023082  0.115580  0.115580  1
  Mg  Mg130  1  0.023082  0.111583  0.361350  1
  Mg  Mg131  1  0.023082  0.111583  0.611748  1
  Mg  Mg132  1  0.023082  0.115580  0.857517  1
  Mg  Mg133  1  0.023082  0.361350  0.111583  1
  Mg  Mg134  1  0.023082  0.362013  0.362013  1
  Mg  Mg135  1  0.023082  0.362013  0.611085  1
  Mg  Mg136  1  0.023082  0.361350  0.861515  1
  Mg  Mg137  1  0.023082  0.611748  0.111583  1
  Mg  Mg138  1  0.023082  0.611085  0.362013  1
  Mg  Mg139  1  0.023082  0.611085  0.611085  1
  Mg  Mg140  1  0.023082  0.611748  0.861515  1
  Mg  Mg141  1  0.023082  0.857517  0.115580  1
  Mg  Mg142  1  0.023082  0.861515  0.361350  1
  Mg  Mg143  1  0.023082  0.861515  0.611748  1
  Mg  Mg144  1  0.023082  0.857517  0.857517  1
  Mg  Mg145  1  0.272482  0.111101  0.111101  1
  Mg  Mg146  1  0.273429  0.111730  0.362203  1
  Mg  Mg147  1  0.273429  0.111730  0.610894  1
  Mg  Mg148  1  0.272482  0.111101  0.861997  1
  Mg  Mg149  1  0.273429  0.362203  0.111730  1
  Mg  Mg150  1  0.273356  0.361443  0.361443  1
  Mg  Mg151  1  0.273356  0.361443  0.611654  1
  Mg  Mg152  1  0.273429  0.362203  0.861367  1
  Mg  Mg153  1  0.273429  0.610894  0.111730  1
  Mg  Mg154  1  0.273356  0.611654  0.361443  1
  Mg  Mg155  1  0.273356  0.611654  0.611654  1
  Mg  Mg156  1  0.273429  0.610894  0.861367  1
  Mg  Mg157  1  0.272482  0.861997  0.111101  1
  Mg  Mg158  1  0.273429  0.861367  0.362203  1
  Mg  Mg159  1  0.273429  0.861367  0.610894  1
  Mg  Mg160  1  0.272482  0.861997  0.861997  1
  Mg  Mg161  1  0.523082  0.111644  0.111644  1
  Mg  Mg162  1  0.523082  0.111285  0.360887  1
  Mg  Mg163  1  0.523082  0.111285  0.612211  1
  Mg  Mg164  1  0.523082  0.111644  0.861454  1
  Mg  Mg165  1  0.523082  0.360887  0.111285  1
  Mg  Mg166  1  0.523082  0.361645  0.361645  1
  Mg  Mg167  1  0.523082  0.361645  0.611452  1
  Mg  Mg168  1  0.523082  0.360887  0.861813  1
  Mg  Mg169  1  0.523082  0.612211  0.111285  1
  Mg  Mg170  1  0.523082  0.611452  0.361645  1
  Mg  Mg171  1  0.523082  0.611452  0.611452  1
  Mg  Mg172  1  0.523082  0.612211  0.861813  1
  Mg  Mg173  1  0.523082  0.861454  0.111644  1
  Mg  Mg174  1  0.523082  0.861813  0.360887  1
  Mg  Mg175  1  0.523082  0.861813  0.612211  1
  Mg  Mg176  1  0.523082  0.861454  0.861454  1
  Mg  Mg177  1  0.773683  0.111101  0.111101  1
  Mg  Mg178  1  0.772736  0.111730  0.362203  1
  Mg  Mg179  1  0.772736  0.111730  0.610894  1
  Mg  Mg180  1  0.773683  0.111101  0.861997  1
  Mg  Mg181  1  0.772736  0.362203  0.111730  1
  Mg  Mg182  1  0.772809  0.361443  0.361443  1
  Mg  Mg183  1  0.772809  0.361443  0.611654  1
  Mg  Mg184  1  0.772736  0.362203  0.861367  1
  Mg  Mg185  1  0.772736  0.610894  0.111730  1
  Mg  Mg186  1  0.772809  0.611654  0.361443  1
  Mg  Mg187  1  0.772809  0.611654  0.611654  1
  Mg  Mg188  1  0.772736  0.610894  0.861367  1
  Mg  Mg189  1  0.773683  0.861997  0.111101  1
  Mg  Mg190  1  0.772736  0.861367  0.362203  1
  Mg  Mg191  1  0.772736  0.861367  0.610894  1
  Mg  Mg192  1  0.773683  0.861997  0.861997  1
  Al  Al193  1  0.023082  -0.013451  0.238223  1
  Al  Al194  1  0.023082  -0.013451  0.486549  1
  Al  Al195  1  0.023082  -0.013451  0.734875  1
  Al  Al196  1  0.023082  0.238223  -0.013451  1
  Al  Al197  1  0.023082  0.237447  0.237447  1
  Al  Al198  1  0.023082  0.236831  0.486549  1
  Al  Al199  1  0.023082  0.237447  0.735651  1
  Al  Al200  1  0.023082  0.486549  -0.013451  1
  Al  Al201  1  0.023082  0.486549  0.236831  1
  Al  Al202  1  0.023082  0.486549  0.486549  1
  Al  Al203  1  0.023082  0.486549  0.736267  1
  Al  Al204  1  0.023082  0.734875  -0.013451  1
  Al  Al205  1  0.023082  0.735651  0.237447  1
  Al  Al206  1  0.023082  0.736267  0.486549  1
  Al  Al207  1  0.023082  0.735651  0.735651  1
  Al  Al208  1  0.273258  -0.013451  -0.013451  1
  Al  Al209  1  0.272621  -0.013451  0.236188  1
  Al  Al210  1  0.273381  -0.013451  0.486549  1
  Al  Al211  1  0.272621  -0.013451  0.736910  1
  Al  Al212  1  0.272621  0.236188  -0.013451  1
  Al  Al213  1  0.273344  0.236822  0.236822  1
  Al  Al214  1  0.273382  0.236504  0.486549  1
  Al  Al215  1  0.273344  0.236822  0.736276  1
  Al  Al216  1  0.273381  0.486549  -0.013451  1
  Al  Al217  1  0.273382  0.486549  0.236504  1
  Al  Al218  1  0.273379  0.486549  0.486549  1
  Al  Al219  1  0.273382  0.486549  0.736594  1
  Al  Al220  1  0.272621  0.736910  -0.013451  1
  Al  Al221  1  0.273344  0.736276  0.236822  1
  Al  Al222  1  0.273382  0.736594  0.486549  1
  Al  Al223  1  0.273344  0.736276  0.736276  1
  Al  Al224  1  0.523082  -0.013451  -0.013451  1
  Al  Al225  1  0.523082  -0.013451  0.236277  1
  Al  Al226  1  0.523082  -0.013451  0.486549  1
  Al  Al227  1  0.523082  -0.013451  0.736820  1
  Al  Al228  1  0.523082  0.236277  -0.013451  1
  Al  Al229  1  0.523082  0.236251  0.236251  1
  Al  Al230  1  0.523082  0.236554  0.486549  1
  Al  Al231  1  0.523082  0.236251  0.736847  1
  Al  Al232  1  0.523082  0.486549  -0.013451  1
  Al  Al233  1  0.523082  0.486549  0.236554  1
  Al  Al234  1  0.523082  0.486549  0.486549  1
  Al  Al235  1  0.523082  0.486549  0.736544  1
  Al  Al236  1  0.523082  0.736820  -0.013451  1
  Al  Al237  1  0.523082  0.736847  0.236251  1
  Al  Al238  1  0.523082  0.736544  0.486549  1
  Al  Al239  1  0.523082  0.736847  0.736847  1
  Al  Al240  1  0.772907  -0.013451  -0.013451  1
  Al  Al241  1  0.773543  -0.013451  0.236188  1
  Al  Al242  1  0.772783  -0.013451  0.486549  1
  Al  Al243  1  0.773543  -0.013451  0.736910  1
  Al  Al244  1  0.773543  0.236188  -0.013451  1
  Al  Al245  1  0.772820  0.236822  0.236822  1
  Al  Al246  1  0.772783  0.236504  0.486549  1
  Al  Al247  1  0.772820  0.236822  0.736276  1
  Al  Al248  1  0.772783  0.486549  -0.013451  1
  Al  Al249  1  0.772783  0.486549  0.236504  1
  Al  Al250  1  0.772786  0.486549  0.486549  1
  Al  Al251  1  0.772783  0.486549  0.736594  1
  Al  Al252  1  0.773543  0.736910  -0.013451  1
  Al  Al253  1  0.772820  0.736276  0.236822  1
  Al  Al254  1  0.772783  0.736594  0.486549  1
  Al  Al255  1  0.772820  0.736276  0.736276  1
