# generated using pymatgen
data_Mg23Al30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.61575316
_cell_length_b   12.61575316
_cell_length_c   65.63050852
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg23Al30
_chemical_formula_sum   'Mg69 Al90'
_cell_volume   9046.12880041
_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  0.404689  0.224773  0.599517  1
  Mg  Mg2  1  0.827229  0.604235  0.599517  1
  Mg  Mg3  1  0.784152  0.181695  0.599517  1
  Mg  Mg4  1  0.939888  0.448354  0.624274  1
  Mg  Mg5  1  0.515612  0.069037  0.624274  1
  Mg  Mg6  1  0.560571  0.493313  0.624274  1
  Mg  Mg7  1  0.410681  0.304169  0.550997  1
  Mg  Mg8  1  0.900634  0.598244  0.550997  1
  Mg  Mg9  1  0.704756  0.108291  0.550997  1
  Mg  Mg10  1  0.943718  0.385006  0.339446  1
  Mg  Mg11  1  0.448434  0.065207  0.339446  1
  Mg  Mg12  1  0.623919  0.560491  0.339446  1
  Mg  Mg13  1  0.050377  0.776425  0.624297  1
  Mg  Mg14  1  0.733194  0.958548  0.624297  1
  Mg  Mg15  1  0.232500  0.275730  0.624297  1
  Mg  Mg16  1  0.293847  0.891339  0.597774  1
  Mg  Mg17  1  0.604638  0.715077  0.597774  1
  Mg  Mg18  1  0.117585  0.404287  0.597774  1
  Mg  Mg19  1  0.672024  0.336901  0.418324  1
  Mg  Mg20  1  0.672024  0.336901  0.469536  1
  Mg  Mg21  1  0.672024  0.336901  0.337521  1
  Mg  Mg22  1  0.672024  0.336901  0.550948  1
  Mg  Mg23  1  0.672024  0.336901  0.612040  1
  Mg  Mg24  1  0.070826  0.558782  0.375865  1
  Mg  Mg25  1  0.495102  0.938099  0.375865  1
  Mg  Mg26  1  0.450143  0.513823  0.375865  1
  Mg  Mg27  1  0.606024  0.782363  0.400622  1
  Mg  Mg28  1  0.183484  0.402900  0.400622  1
  Mg  Mg29  1  0.226562  0.825440  0.400622  1
  Mg  Mg30  1  0.066996  0.622130  0.660693  1
  Mg  Mg31  1  0.562280  0.941929  0.660693  1
  Mg  Mg32  1  0.386795  0.446645  0.660693  1
  Mg  Mg33  1  0.600033  0.702967  0.449142  1
  Mg  Mg34  1  0.110080  0.408892  0.449142  1
  Mg  Mg35  1  0.305958  0.898845  0.449142  1
  Mg  Mg36  1  0.716867  0.115796  0.402365  1
  Mg  Mg37  1  0.406076  0.292058  0.402365  1
  Mg  Mg38  1  0.893129  0.602849  0.402365  1
  Mg  Mg39  1  0.960337  0.230711  0.375842  1
  Mg  Mg40  1  0.277519  0.048588  0.375842  1
  Mg  Mg41  1  0.778214  0.731405  0.375842  1
  Mg  Mg42  1  0.338690  0.670234  0.530602  1
  Mg  Mg43  1  0.338690  0.670234  0.581814  1
  Mg  Mg44  1  0.338690  0.670234  0.449191  1
  Mg  Mg45  1  0.338690  0.670234  0.662618  1
  Mg  Mg46  1  0.338690  0.670234  0.388099  1
  Mg  Mg47  1  0.737653  0.892442  0.487611  1
  Mg  Mg48  1  0.161935  0.271272  0.487611  1
  Mg  Mg49  1  0.116483  0.846989  0.487611  1
  Mg  Mg50  1  0.273061  0.114694  0.512528  1
  Mg  Mg51  1  0.848778  0.735864  0.512528  1
  Mg  Mg52  1  0.894231  0.160146  0.512528  1
  Mg  Mg53  1  0.743343  0.971076  0.439131  1
  Mg  Mg54  1  0.234878  0.265582  0.439131  1
  Mg  Mg55  1  0.037849  0.774046  0.439131  1
  Mg  Mg56  1  0.267371  0.036060  0.561008  1
  Mg  Mg57  1  0.775835  0.741554  0.561008  1
  Mg  Mg58  1  0.972865  0.233089  0.561008  1
  Mg  Mg59  1  0.384066  0.448504  0.514434  1
  Mg  Mg60  1  0.071584  0.624859  0.514434  1
  Mg  Mg61  1  0.560421  0.937341  0.514434  1
  Mg  Mg62  1  0.626648  0.558632  0.485705  1
  Mg  Mg63  1  0.939130  0.382277  0.485705  1
  Mg  Mg64  1  0.450293  0.069795  0.485705  1
  Mg  Mg65  1  0.005357  0.003568  0.639716  1
  Mg  Mg66  1  0.005357  0.003568  0.360423  1
  Mg  Mg67  1  0.005357  0.003568  0.560994  1
  Mg  Mg68  1  0.005357  0.003568  0.439145  1
  Mg  Mg69  1  0.005357  0.003568  0.500069  1
  Al  Al70  1  0.714843  0.149591  0.354728  1
  Al  Al71  1  0.606086  0.476951  0.578510  1
  Al  Al72  1  0.531973  0.130913  0.578510  1
  Al  Al73  1  0.878012  0.402839  0.578510  1
  Al  Al74  1  0.751108  0.199413  0.643973  1
  Al  Al75  1  0.809512  0.553474  0.643973  1
  Al  Al76  1  0.455451  0.257817  0.643973  1
  Al  Al77  1  0.441894  0.294081  0.354728  1
  Al  Al78  1  0.859333  0.567031  0.354728  1
  Al  Al79  1  0.638638  0.527116  0.533477  1
  Al  Al80  1  0.895624  0.370287  0.533477  1
  Al  Al81  1  0.481809  0.113301  0.533477  1
  Al  Al82  1  0.805661  0.358752  0.377017  1
  Al  Al83  1  0.560238  0.203264  0.377017  1
  Al  Al84  1  0.650172  0.448687  0.377017  1
  Al  Al85  1  0.538710  0.317690  0.510658  1
  Al  Al86  1  0.786126  0.470214  0.510658  1
  Al  Al87  1  0.691235  0.222799  0.510658  1
  Al  Al88  1  0.263413  0.042356  0.634349  1
  Al  Al89  1  0.786089  0.745511  0.634349  1
  Al  Al90  1  0.966569  0.222836  0.634349  1
  Al  Al91  1  0.071006  0.624612  0.589605  1
  Al  Al92  1  0.560753  0.937919  0.589605  1
  Al  Al93  1  0.384312  0.448172  0.589605  1
  Al  Al94  1  0.229937  0.176041  0.663079  1
  Al  Al95  1  0.953251  0.778988  0.663079  1
  Al  Al96  1  0.832883  0.055674  0.663079  1
  Al  Al97  1  0.095798  0.514794  0.556281  1
  Al  Al98  1  0.426141  0.913126  0.556281  1
  Al  Al99  1  0.494131  0.582783  0.556281  1
  Al  Al100  1  0.372076  0.480020  0.466661  1
  Al  Al101  1  0.259606  0.807723  0.356166  1
  Al  Al102  1  0.201202  0.453661  0.356166  1
  Al  Al103  1  0.555263  0.749319  0.356166  1
  Al  Al104  1  0.404628  0.530184  0.421629  1
  Al  Al105  1  0.478741  0.876223  0.421629  1
  Al  Al106  1  0.132702  0.604297  0.421629  1
  Al  Al107  1  0.115090  0.636849  0.466661  1
  Al  Al108  1  0.528905  0.893835  0.466661  1
  Al  Al109  1  0.295871  0.857544  0.645411  1
  Al  Al110  1  0.568820  0.713054  0.645411  1
  Al  Al111  1  0.151381  0.440105  0.645411  1
  Al  Al112  1  0.472003  0.689446  0.489481  1
  Al  Al113  1  0.224588  0.536921  0.489481  1
  Al  Al114  1  0.319479  0.784337  0.489481  1
  Al  Al115  1  0.205053  0.648383  0.623122  1
  Al  Al116  1  0.450476  0.803872  0.623122  1
  Al  Al117  1  0.360542  0.558449  0.623122  1
  Al  Al118  1  0.939708  0.382523  0.410534  1
  Al  Al119  1  0.449961  0.069216  0.410534  1
  Al  Al120  1  0.626401  0.558964  0.410534  1
  Al  Al121  1  0.747301  0.964779  0.365790  1
  Al  Al122  1  0.224625  0.261624  0.365790  1
  Al  Al123  1  0.044145  0.784300  0.365790  1
  Al  Al124  1  0.914916  0.492342  0.443858  1
  Al  Al125  1  0.584573  0.094009  0.443858  1
  Al  Al126  1  0.516583  0.424352  0.443858  1
  Al  Al127  1  0.780777  0.831094  0.337060  1
  Al  Al128  1  0.057463  0.228147  0.337060  1
  Al  Al129  1  0.177831  0.951462  0.337060  1
  Al  Al130  1  0.038568  0.812391  0.578154  1
  Al  Al131  1  0.939690  0.144473  0.466580  1
  Al  Al132  1  0.864452  0.796996  0.466580  1
  Al  Al133  1  0.211929  0.069235  0.466580  1
  Al  Al134  1  0.071024  0.862663  0.533559  1
  Al  Al135  1  0.146262  0.210140  0.533559  1
  Al  Al136  1  0.798785  0.937901  0.533559  1
  Al  Al137  1  0.780969  0.970356  0.578154  1
  Al  Al138  1  0.196534  0.227956  0.578154  1
  Al  Al139  1  0.972146  0.194745  0.421985  1
  Al  Al140  1  0.229745  0.036779  0.421985  1
  Al  Al141  1  0.814180  0.779180  0.421985  1
  Al  Al142  1  0.139458  0.022787  0.600959  1
  Al  Al143  1  0.890475  0.869467  0.600959  1
  Al  Al144  1  0.986138  0.118450  0.600959  1
  Al  Al145  1  0.871256  0.984349  0.399180  1
  Al  Al146  1  0.120239  0.137669  0.399180  1
  Al  Al147  1  0.024576  0.888686  0.399180  1
  Al  Al148  1  0.606811  0.714807  0.522384  1
  Al  Al149  1  0.115142  0.402113  0.522384  1
  Al  Al150  1  0.294118  0.893783  0.522384  1
  Al  Al151  1  0.403902  0.292329  0.477755  1
  Al  Al152  1  0.895572  0.605022  0.477755  1
  Al  Al153  1  0.716596  0.113353  0.477755  1
  Al  Al154  1  0.580740  0.825240  0.555699  1
  Al  Al155  1  0.251646  0.428185  0.555699  1
  Al  Al156  1  0.183685  0.757279  0.555699  1
  Al  Al157  1  0.429974  0.181896  0.444440  1
  Al  Al158  1  0.759068  0.578950  0.444440  1
  Al  Al159  1  0.827029  0.249857  0.444440  1
