# generated using pymatgen
data_Nb21Al64
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.51737173
_cell_length_b   15.51737110
_cell_length_c   15.47202590
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb21Al64
_chemical_formula_sum   'Nb63 Al192'
_cell_volume   3725.49078899
_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
  Nb  Nb1  1  0.999488  -0.000512  0.752566  1
  Nb  Nb2  1  0.999488  0.249488  0.252566  1
  Nb  Nb3  1  0.999488  0.249488  0.752566  1
  Nb  Nb4  1  0.999488  0.499488  0.252566  1
  Nb  Nb5  1  0.999488  0.499488  0.752566  1
  Nb  Nb6  1  0.999488  0.749488  0.252566  1
  Nb  Nb7  1  0.999488  0.749488  0.752566  1
  Nb  Nb8  1  0.249488  -0.000512  0.252566  1
  Nb  Nb9  1  0.249488  -0.000512  0.752566  1
  Nb  Nb10  1  0.249488  0.249488  0.252566  1
  Nb  Nb11  1  0.249488  0.249488  0.752566  1
  Nb  Nb12  1  0.249488  0.499488  0.252566  1
  Nb  Nb13  1  0.249488  0.499488  0.752566  1
  Nb  Nb14  1  0.249488  0.749488  0.252566  1
  Nb  Nb15  1  0.249488  0.749488  0.752566  1
  Nb  Nb16  1  0.499488  -0.000512  0.252566  1
  Nb  Nb17  1  0.499488  -0.000512  0.752566  1
  Nb  Nb18  1  0.499488  0.249488  0.252566  1
  Nb  Nb19  1  0.499488  0.249488  0.752566  1
  Nb  Nb20  1  0.499488  0.499488  0.252566  1
  Nb  Nb21  1  0.499488  0.499488  0.752566  1
  Nb  Nb22  1  0.499488  0.749488  0.252566  1
  Nb  Nb23  1  0.499488  0.749488  0.752566  1
  Nb  Nb24  1  0.749488  -0.000512  0.252566  1
  Nb  Nb25  1  0.749488  -0.000512  0.752566  1
  Nb  Nb26  1  0.749488  0.249488  0.252566  1
  Nb  Nb27  1  0.749488  0.249488  0.752566  1
  Nb  Nb28  1  0.749488  0.499488  0.252566  1
  Nb  Nb29  1  0.749488  0.499488  0.752566  1
  Nb  Nb30  1  0.749488  0.749488  0.252566  1
  Nb  Nb31  1  0.749488  0.749488  0.752566  1
  Nb  Nb32  1  0.124488  0.124488  0.002566  1
  Nb  Nb33  1  0.124488  0.124488  0.502566  1
  Nb  Nb34  1  0.124488  0.374488  0.002566  1
  Nb  Nb35  1  0.124488  0.374488  0.502566  1
  Nb  Nb36  1  0.124488  0.624488  0.002566  1
  Nb  Nb37  1  0.124488  0.624488  0.502566  1
  Nb  Nb38  1  0.124488  0.874488  0.002566  1
  Nb  Nb39  1  0.124488  0.874488  0.502566  1
  Nb  Nb40  1  0.374488  0.124488  0.002566  1
  Nb  Nb41  1  0.374488  0.124488  0.502566  1
  Nb  Nb42  1  0.374488  0.374488  1.002566  1
  Nb  Nb43  1  0.374488  0.374488  0.502566  1
  Nb  Nb44  1  0.374488  0.624488  1.002566  1
  Nb  Nb45  1  0.374488  0.624488  0.502566  1
  Nb  Nb46  1  0.374488  0.874488  0.002566  1
  Nb  Nb47  1  0.374488  0.874488  0.502566  1
  Nb  Nb48  1  0.624488  0.124488  0.002566  1
  Nb  Nb49  1  0.624488  0.124488  0.502566  1
  Nb  Nb50  1  0.624488  0.374488  1.002566  1
  Nb  Nb51  1  0.624488  0.374488  0.502566  1
  Nb  Nb52  1  0.624488  0.624488  1.002566  1
  Nb  Nb53  1  0.624488  0.624488  0.502566  1
  Nb  Nb54  1  0.624488  0.874488  0.002566  1
  Nb  Nb55  1  0.624488  0.874488  0.502566  1
  Nb  Nb56  1  0.874488  0.124488  0.002566  1
  Nb  Nb57  1  0.874488  0.124488  0.502566  1
  Nb  Nb58  1  0.874488  0.374488  0.002566  1
  Nb  Nb59  1  0.874488  0.374488  0.502566  1
  Nb  Nb60  1  0.874488  0.624488  0.002566  1
  Nb  Nb61  1  0.874488  0.624488  0.502566  1
  Nb  Nb62  1  0.874488  0.874488  0.002566  1
  Nb  Nb63  1  0.874488  0.874488  0.502566  1
  Al  Al64  1  0.122849  0.122849  0.252566  1
  Al  Al65  1  0.124487  0.124487  0.752566  1
  Al  Al66  1  0.124458  0.374361  0.252566  1
  Al  Al67  1  0.124488  0.374488  0.752566  1
  Al  Al68  1  0.124458  0.624615  0.252566  1
  Al  Al69  1  0.124488  0.624489  0.752566  1
  Al  Al70  1  0.122849  0.876127  0.252566  1
  Al  Al71  1  0.124487  0.874489  0.752566  1
  Al  Al72  1  0.374361  0.124458  0.252566  1
  Al  Al73  1  0.374488  0.124488  0.752566  1
  Al  Al74  1  0.374517  0.374518  0.252566  1
  Al  Al75  1  0.374488  0.374488  0.752566  1
  Al  Al76  1  0.374517  0.624459  0.252566  1
  Al  Al77  1  0.374488  0.624488  0.752566  1
  Al  Al78  1  0.374361  0.874518  0.252566  1
  Al  Al79  1  0.374488  0.874488  0.752566  1
  Al  Al80  1  0.624615  0.124458  0.252566  1
  Al  Al81  1  0.624489  0.124488  0.752566  1
  Al  Al82  1  0.624459  0.374518  0.252566  1
  Al  Al83  1  0.624488  0.374488  0.752566  1
  Al  Al84  1  0.624459  0.624459  0.252566  1
  Al  Al85  1  0.624488  0.624488  0.752566  1
  Al  Al86  1  0.624615  0.874518  0.252566  1
  Al  Al87  1  0.624489  0.874488  0.752566  1
  Al  Al88  1  0.876127  0.122849  0.252566  1
  Al  Al89  1  0.874489  0.124487  0.752566  1
  Al  Al90  1  0.874518  0.374361  0.252566  1
  Al  Al91  1  0.874488  0.374488  0.752566  1
  Al  Al92  1  0.874518  0.624615  0.252566  1
  Al  Al93  1  0.874488  0.624489  0.752566  1
  Al  Al94  1  0.876127  0.876127  0.252566  1
  Al  Al95  1  0.874489  0.874489  0.752566  1
  Al  Al96  1  0.124488  -0.000512  0.127566  1
  Al  Al97  1  0.124488  -0.000512  0.627566  1
  Al  Al98  1  0.124488  0.249488  0.127566  1
  Al  Al99  1  0.124488  0.249488  0.627566  1
  Al  Al100  1  0.124488  0.499488  0.127566  1
  Al  Al101  1  0.124488  0.499488  0.627566  1
  Al  Al102  1  0.124488  0.749488  0.127566  1
  Al  Al103  1  0.124488  0.749488  0.627566  1
  Al  Al104  1  0.374488  -0.000512  0.127566  1
  Al  Al105  1  0.374488  -0.000512  0.627566  1
  Al  Al106  1  0.374488  0.249488  0.127566  1
  Al  Al107  1  0.374488  0.249488  0.627566  1
  Al  Al108  1  0.374488  0.499488  0.127566  1
  Al  Al109  1  0.374488  0.499488  0.627566  1
  Al  Al110  1  0.374488  0.749488  0.127566  1
  Al  Al111  1  0.374488  0.749488  0.627566  1
  Al  Al112  1  0.624488  -0.000512  0.127566  1
  Al  Al113  1  0.624488  -0.000512  0.627566  1
  Al  Al114  1  0.624488  0.249488  0.127566  1
  Al  Al115  1  0.624488  0.249488  0.627566  1
  Al  Al116  1  0.624488  0.499488  0.127566  1
  Al  Al117  1  0.624488  0.499488  0.627566  1
  Al  Al118  1  0.624488  0.749488  0.127566  1
  Al  Al119  1  0.624488  0.749488  0.627566  1
  Al  Al120  1  0.874488  -0.000512  0.127566  1
  Al  Al121  1  0.874488  -0.000512  0.627566  1
  Al  Al122  1  0.874488  0.249488  0.127566  1
  Al  Al123  1  0.874488  0.249488  0.627566  1
  Al  Al124  1  0.874488  0.499488  0.127566  1
  Al  Al125  1  0.874488  0.499488  0.627566  1
  Al  Al126  1  0.874488  0.749488  0.127566  1
  Al  Al127  1  0.874488  0.749488  0.627566  1
  Al  Al128  1  0.999488  0.124488  0.127566  1
  Al  Al129  1  0.999488  0.124488  0.627566  1
  Al  Al130  1  0.999488  0.374488  0.127566  1
  Al  Al131  1  0.999488  0.374488  0.627566  1
  Al  Al132  1  0.999488  0.624488  0.127566  1
  Al  Al133  1  0.999488  0.624488  0.627566  1
  Al  Al134  1  0.999488  0.874488  0.127566  1
  Al  Al135  1  0.999488  0.874488  0.627566  1
  Al  Al136  1  0.249488  0.124488  0.127566  1
  Al  Al137  1  0.249488  0.124488  0.627566  1
  Al  Al138  1  0.249488  0.374488  0.127566  1
  Al  Al139  1  0.249488  0.374488  0.627566  1
  Al  Al140  1  0.249488  0.624488  0.127566  1
  Al  Al141  1  0.249488  0.624488  0.627566  1
  Al  Al142  1  0.249488  0.874488  0.127566  1
  Al  Al143  1  0.249488  0.874488  0.627566  1
  Al  Al144  1  0.499488  0.124488  0.127566  1
  Al  Al145  1  0.499488  0.124488  0.627566  1
  Al  Al146  1  0.499488  0.374488  0.127566  1
  Al  Al147  1  0.499488  0.374488  0.627566  1
  Al  Al148  1  0.499488  0.624488  0.127566  1
  Al  Al149  1  0.499488  0.624488  0.627566  1
  Al  Al150  1  0.499488  0.874488  0.127566  1
  Al  Al151  1  0.499488  0.874488  0.627566  1
  Al  Al152  1  0.749488  0.124488  0.127566  1
  Al  Al153  1  0.749488  0.124488  0.627566  1
  Al  Al154  1  0.749488  0.374488  0.127566  1
  Al  Al155  1  0.749488  0.374488  0.627566  1
  Al  Al156  1  0.749488  0.624488  0.127566  1
  Al  Al157  1  0.749488  0.624488  0.627566  1
  Al  Al158  1  0.749488  0.874488  0.127566  1
  Al  Al159  1  0.749488  0.874488  0.627566  1
  Al  Al160  1  0.999488  -0.000512  1.000600  1
  Al  Al161  1  0.999488  -0.000512  0.504532  1
  Al  Al162  1  0.999488  0.249283  0.002739  1
  Al  Al163  1  0.999488  0.249283  0.502393  1
  Al  Al164  1  0.999488  0.499488  1.002566  1
  Al  Al165  1  0.999488  0.499488  0.502566  1
  Al  Al166  1  0.999488  0.749694  0.002739  1
  Al  Al167  1  0.999488  0.749694  0.502393  1
  Al  Al168  1  0.249283  -0.000512  0.002739  1
  Al  Al169  1  0.249283  -0.000512  0.502393  1
  Al  Al170  1  0.249485  0.249485  0.002567  1
  Al  Al171  1  0.249485  0.249485  0.502566  1
  Al  Al172  1  0.249492  0.499488  0.002566  1
  Al  Al173  1  0.249492  0.499488  0.502566  1
  Al  Al174  1  0.249485  0.749492  0.002567  1
  Al  Al175  1  0.249485  0.749492  0.502566  1
  Al  Al176  1  0.499488  -0.000512  1.002566  1
  Al  Al177  1  0.499488  -0.000512  0.502566  1
  Al  Al178  1  0.499488  0.249492  0.002566  1
  Al  Al179  1  0.499488  0.249492  0.502566  1
  Al  Al180  1  0.499488  0.499488  0.002566  1
  Al  Al181  1  0.499488  0.499488  0.502566  1
  Al  Al182  1  0.499488  0.749485  0.002566  1
  Al  Al183  1  0.499488  0.749485  0.502566  1
  Al  Al184  1  0.749694  -0.000512  0.002739  1
  Al  Al185  1  0.749694  -0.000512  0.502393  1
  Al  Al186  1  0.749492  0.249485  0.002567  1
  Al  Al187  1  0.749492  0.249485  0.502566  1
  Al  Al188  1  0.749485  0.499488  0.002566  1
  Al  Al189  1  0.749485  0.499488  0.502566  1
  Al  Al190  1  0.749492  0.749492  0.002567  1
  Al  Al191  1  0.749492  0.749492  0.502566  1
  Al  Al192  1  0.999488  0.124488  0.377566  1
  Al  Al193  1  0.999488  0.124488  0.877566  1
  Al  Al194  1  0.999488  0.374488  0.377566  1
  Al  Al195  1  0.999488  0.374488  0.877566  1
  Al  Al196  1  0.999488  0.624488  0.377566  1
  Al  Al197  1  0.999488  0.624488  0.877566  1
  Al  Al198  1  0.999488  0.874488  0.377566  1
  Al  Al199  1  0.999488  0.874488  0.877566  1
  Al  Al200  1  0.249488  0.124488  0.377566  1
  Al  Al201  1  0.249488  0.124488  0.877566  1
  Al  Al202  1  0.249488  0.374488  0.377566  1
  Al  Al203  1  0.249488  0.374488  0.877566  1
  Al  Al204  1  0.249488  0.624488  0.377566  1
  Al  Al205  1  0.249488  0.624488  0.877566  1
  Al  Al206  1  0.249488  0.874488  0.377566  1
  Al  Al207  1  0.249488  0.874488  0.877566  1
  Al  Al208  1  0.499488  0.124488  0.377566  1
  Al  Al209  1  0.499488  0.124488  0.877566  1
  Al  Al210  1  0.499488  0.374488  0.377566  1
  Al  Al211  1  0.499488  0.374488  0.877566  1
  Al  Al212  1  0.499488  0.624488  0.377566  1
  Al  Al213  1  0.499488  0.624488  0.877566  1
  Al  Al214  1  0.499488  0.874488  0.377566  1
  Al  Al215  1  0.499488  0.874488  0.877566  1
  Al  Al216  1  0.749488  0.124488  0.377566  1
  Al  Al217  1  0.749488  0.124488  0.877566  1
  Al  Al218  1  0.749488  0.374488  0.377566  1
  Al  Al219  1  0.749488  0.374488  0.877566  1
  Al  Al220  1  0.749488  0.624488  0.377566  1
  Al  Al221  1  0.749488  0.624488  0.877566  1
  Al  Al222  1  0.749488  0.874488  0.377566  1
  Al  Al223  1  0.749488  0.874488  0.877566  1
  Al  Al224  1  0.124488  -0.000512  0.377566  1
  Al  Al225  1  0.124488  -0.000512  0.877566  1
  Al  Al226  1  0.124488  0.249488  0.377566  1
  Al  Al227  1  0.124488  0.249488  0.877566  1
  Al  Al228  1  0.124488  0.499488  0.377566  1
  Al  Al229  1  0.124488  0.499488  0.877566  1
  Al  Al230  1  0.124488  0.749488  0.377566  1
  Al  Al231  1  0.124488  0.749488  0.877566  1
  Al  Al232  1  0.374488  -0.000512  0.377566  1
  Al  Al233  1  0.374488  -0.000512  0.877566  1
  Al  Al234  1  0.374488  0.249488  0.377566  1
  Al  Al235  1  0.374488  0.249488  0.877566  1
  Al  Al236  1  0.374488  0.499488  0.377566  1
  Al  Al237  1  0.374488  0.499488  0.877566  1
  Al  Al238  1  0.374488  0.749488  0.377566  1
  Al  Al239  1  0.374488  0.749488  0.877566  1
  Al  Al240  1  0.624488  -0.000512  0.377566  1
  Al  Al241  1  0.624488  -0.000512  0.877566  1
  Al  Al242  1  0.624488  0.249488  0.377566  1
  Al  Al243  1  0.624488  0.249488  0.877566  1
  Al  Al244  1  0.624488  0.499488  0.377566  1
  Al  Al245  1  0.624488  0.499488  0.877566  1
  Al  Al246  1  0.624488  0.749488  0.377566  1
  Al  Al247  1  0.624488  0.749488  0.877566  1
  Al  Al248  1  0.874488  -0.000512  0.377566  1
  Al  Al249  1  0.874488  -0.000512  0.877566  1
  Al  Al250  1  0.874488  0.249488  0.377566  1
  Al  Al251  1  0.874488  0.249488  0.877566  1
  Al  Al252  1  0.874488  0.499488  0.377566  1
  Al  Al253  1  0.874488  0.499488  0.877566  1
  Al  Al254  1  0.874488  0.749488  0.377566  1
  Al  Al255  1  0.874488  0.749488  0.877566  1
