# generated using pymatgen
data_Sm64Al21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.44806937
_cell_length_b   19.44806937
_cell_length_c   19.44806937
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm64Al21
_chemical_formula_sum   'Sm192 Al63'
_cell_volume   7355.79275283
_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
  Sm  Sm1  1  0.999842  0.125604  0.125604  1
  Sm  Sm2  1  0.999842  0.124945  0.374775  1
  Sm  Sm3  1  0.999842  0.124945  0.624908  1
  Sm  Sm4  1  0.999842  0.125604  0.874079  1
  Sm  Sm5  1  0.999842  0.374775  0.124945  1
  Sm  Sm6  1  0.999842  0.374864  0.374864  1
  Sm  Sm7  1  0.999842  0.374864  0.624819  1
  Sm  Sm8  1  0.999842  0.374775  0.874738  1
  Sm  Sm9  1  0.999842  0.624908  0.124945  1
  Sm  Sm10  1  0.999842  0.624819  0.374864  1
  Sm  Sm11  1  0.999842  0.624819  0.624819  1
  Sm  Sm12  1  0.999842  0.624908  0.874738  1
  Sm  Sm13  1  0.999842  0.874079  0.125604  1
  Sm  Sm14  1  0.999842  0.874738  0.374775  1
  Sm  Sm15  1  0.999842  0.874738  0.624908  1
  Sm  Sm16  1  0.999842  0.874079  0.874079  1
  Sm  Sm17  1  0.250284  0.125238  0.125238  1
  Sm  Sm18  1  0.249978  0.124909  0.375034  1
  Sm  Sm19  1  0.249978  0.124909  0.624649  1
  Sm  Sm20  1  0.250284  0.125238  0.874445  1
  Sm  Sm21  1  0.249978  0.375034  0.124909  1
  Sm  Sm22  1  0.249916  0.374914  0.374914  1
  Sm  Sm23  1  0.249916  0.374914  0.624769  1
  Sm  Sm24  1  0.249978  0.375034  0.874774  1
  Sm  Sm25  1  0.249978  0.624649  0.124909  1
  Sm  Sm26  1  0.249916  0.624769  0.374914  1
  Sm  Sm27  1  0.249916  0.624769  0.624769  1
  Sm  Sm28  1  0.249978  0.624649  0.874774  1
  Sm  Sm29  1  0.250284  0.874445  0.125238  1
  Sm  Sm30  1  0.249978  0.874774  0.375034  1
  Sm  Sm31  1  0.249978  0.874774  0.624649  1
  Sm  Sm32  1  0.250284  0.874445  0.874445  1
  Sm  Sm33  1  0.499842  0.124750  0.124750  1
  Sm  Sm34  1  0.499842  0.124844  0.374931  1
  Sm  Sm35  1  0.499842  0.124844  0.624752  1
  Sm  Sm36  1  0.499842  0.124750  0.874933  1
  Sm  Sm37  1  0.499842  0.374931  0.124844  1
  Sm  Sm38  1  0.499842  0.374885  0.374885  1
  Sm  Sm39  1  0.499842  0.374885  0.624798  1
  Sm  Sm40  1  0.499842  0.374931  0.874839  1
  Sm  Sm41  1  0.499842  0.624752  0.124844  1
  Sm  Sm42  1  0.499842  0.624798  0.374885  1
  Sm  Sm43  1  0.499842  0.624798  0.624798  1
  Sm  Sm44  1  0.499842  0.624752  0.874839  1
  Sm  Sm45  1  0.499842  0.874933  0.124750  1
  Sm  Sm46  1  0.499842  0.874839  0.374931  1
  Sm  Sm47  1  0.499842  0.874839  0.624752  1
  Sm  Sm48  1  0.499842  0.874933  0.874933  1
  Sm  Sm49  1  0.749400  0.125238  0.125238  1
  Sm  Sm50  1  0.749705  0.124909  0.375034  1
  Sm  Sm51  1  0.749705  0.124909  0.624649  1
  Sm  Sm52  1  0.749400  0.125238  0.874445  1
  Sm  Sm53  1  0.749705  0.375034  0.124909  1
  Sm  Sm54  1  0.749767  0.374914  0.374914  1
  Sm  Sm55  1  0.749767  0.374914  0.624769  1
  Sm  Sm56  1  0.749705  0.375034  0.874774  1
  Sm  Sm57  1  0.749705  0.624649  0.124909  1
  Sm  Sm58  1  0.749767  0.624769  0.374914  1
  Sm  Sm59  1  0.749767  0.624769  0.624769  1
  Sm  Sm60  1  0.749705  0.624649  0.874774  1
  Sm  Sm61  1  0.749400  0.874445  0.125238  1
  Sm  Sm62  1  0.749705  0.874774  0.375034  1
  Sm  Sm63  1  0.749705  0.874774  0.624649  1
  Sm  Sm64  1  0.749400  0.874445  0.874445  1
  Sm  Sm65  1  0.125604  0.125604  -0.000158  1
  Sm  Sm66  1  0.125238  0.125238  0.250284  1
  Sm  Sm67  1  0.124750  0.124750  0.499842  1
  Sm  Sm68  1  0.125238  0.125238  0.749400  1
  Sm  Sm69  1  0.124945  0.374775  -0.000158  1
  Sm  Sm70  1  0.124909  0.375034  0.249978  1
  Sm  Sm71  1  0.124844  0.374931  0.499842  1
  Sm  Sm72  1  0.124909  0.375034  0.749705  1
  Sm  Sm73  1  0.124945  0.624908  -0.000158  1
  Sm  Sm74  1  0.124909  0.624649  0.249978  1
  Sm  Sm75  1  0.124844  0.624752  0.499842  1
  Sm  Sm76  1  0.124909  0.624649  0.749705  1
  Sm  Sm77  1  0.125604  0.874079  -0.000158  1
  Sm  Sm78  1  0.125238  0.874445  0.250284  1
  Sm  Sm79  1  0.124750  0.874933  0.499842  1
  Sm  Sm80  1  0.125238  0.874445  0.749400  1
  Sm  Sm81  1  0.374775  0.124945  -0.000158  1
  Sm  Sm82  1  0.375034  0.124909  0.249978  1
  Sm  Sm83  1  0.374931  0.124844  0.499842  1
  Sm  Sm84  1  0.375034  0.124909  0.749705  1
  Sm  Sm85  1  0.374864  0.374864  -0.000158  1
  Sm  Sm86  1  0.374914  0.374914  0.249916  1
  Sm  Sm87  1  0.374885  0.374885  0.499842  1
  Sm  Sm88  1  0.374914  0.374914  0.749767  1
  Sm  Sm89  1  0.374864  0.624819  -0.000158  1
  Sm  Sm90  1  0.374914  0.624769  0.249916  1
  Sm  Sm91  1  0.374885  0.624798  0.499842  1
  Sm  Sm92  1  0.374914  0.624769  0.749767  1
  Sm  Sm93  1  0.374775  0.874738  -0.000158  1
  Sm  Sm94  1  0.375034  0.874774  0.249978  1
  Sm  Sm95  1  0.374931  0.874839  0.499842  1
  Sm  Sm96  1  0.375034  0.874774  0.749705  1
  Sm  Sm97  1  0.624908  0.124945  -0.000158  1
  Sm  Sm98  1  0.624649  0.124909  0.249978  1
  Sm  Sm99  1  0.624752  0.124844  0.499842  1
  Sm  Sm100  1  0.624649  0.124909  0.749705  1
  Sm  Sm101  1  0.624819  0.374864  -0.000158  1
  Sm  Sm102  1  0.624769  0.374914  0.249916  1
  Sm  Sm103  1  0.624798  0.374885  0.499842  1
  Sm  Sm104  1  0.624769  0.374914  0.749767  1
  Sm  Sm105  1  0.624819  0.624819  -0.000158  1
  Sm  Sm106  1  0.624769  0.624769  0.249916  1
  Sm  Sm107  1  0.624798  0.624798  0.499842  1
  Sm  Sm108  1  0.624769  0.624769  0.749767  1
  Sm  Sm109  1  0.624908  0.874738  -0.000158  1
  Sm  Sm110  1  0.624649  0.874774  0.249978  1
  Sm  Sm111  1  0.624752  0.874839  0.499842  1
  Sm  Sm112  1  0.624649  0.874774  0.749705  1
  Sm  Sm113  1  0.874079  0.125604  -0.000158  1
  Sm  Sm114  1  0.874445  0.125238  0.250284  1
  Sm  Sm115  1  0.874933  0.124750  0.499842  1
  Sm  Sm116  1  0.874445  0.125238  0.749400  1
  Sm  Sm117  1  0.874738  0.374775  -0.000158  1
  Sm  Sm118  1  0.874774  0.375034  0.249978  1
  Sm  Sm119  1  0.874839  0.374931  0.499842  1
  Sm  Sm120  1  0.874774  0.375034  0.749705  1
  Sm  Sm121  1  0.874738  0.624908  -0.000158  1
  Sm  Sm122  1  0.874774  0.624649  0.249978  1
  Sm  Sm123  1  0.874839  0.624752  0.499842  1
  Sm  Sm124  1  0.874774  0.624649  0.749705  1
  Sm  Sm125  1  0.874079  0.874079  -0.000158  1
  Sm  Sm126  1  0.874445  0.874445  0.250284  1
  Sm  Sm127  1  0.874933  0.874933  0.499842  1
  Sm  Sm128  1  0.874445  0.874445  0.749400  1
  Sm  Sm129  1  0.125604  -0.000158  0.125604  1
  Sm  Sm130  1  0.124945  -0.000158  0.374775  1
  Sm  Sm131  1  0.124945  -0.000158  0.624908  1
  Sm  Sm132  1  0.125604  -0.000158  0.874079  1
  Sm  Sm133  1  0.125238  0.250284  0.125238  1
  Sm  Sm134  1  0.124909  0.249978  0.375034  1
  Sm  Sm135  1  0.124909  0.249978  0.624649  1
  Sm  Sm136  1  0.125238  0.250284  0.874445  1
  Sm  Sm137  1  0.124750  0.499842  0.124750  1
  Sm  Sm138  1  0.124844  0.499842  0.374931  1
  Sm  Sm139  1  0.124844  0.499842  0.624752  1
  Sm  Sm140  1  0.124750  0.499842  0.874933  1
  Sm  Sm141  1  0.125238  0.749400  0.125238  1
  Sm  Sm142  1  0.124909  0.749705  0.375034  1
  Sm  Sm143  1  0.124909  0.749705  0.624649  1
  Sm  Sm144  1  0.125238  0.749400  0.874445  1
  Sm  Sm145  1  0.374775  -0.000158  0.124945  1
  Sm  Sm146  1  0.374864  -0.000158  0.374864  1
  Sm  Sm147  1  0.374864  -0.000158  0.624819  1
  Sm  Sm148  1  0.374775  -0.000158  0.874738  1
  Sm  Sm149  1  0.375034  0.249978  0.124909  1
  Sm  Sm150  1  0.374914  0.249916  0.374914  1
  Sm  Sm151  1  0.374914  0.249916  0.624769  1
  Sm  Sm152  1  0.375034  0.249978  0.874774  1
  Sm  Sm153  1  0.374931  0.499842  0.124844  1
  Sm  Sm154  1  0.374885  0.499842  0.374885  1
  Sm  Sm155  1  0.374885  0.499842  0.624798  1
  Sm  Sm156  1  0.374931  0.499842  0.874839  1
  Sm  Sm157  1  0.375034  0.749705  0.124909  1
  Sm  Sm158  1  0.374914  0.749767  0.374914  1
  Sm  Sm159  1  0.374914  0.749767  0.624769  1
  Sm  Sm160  1  0.375034  0.749705  0.874774  1
  Sm  Sm161  1  0.624908  -0.000158  0.124945  1
  Sm  Sm162  1  0.624819  -0.000158  0.374864  1
  Sm  Sm163  1  0.624819  -0.000158  0.624819  1
  Sm  Sm164  1  0.624908  -0.000158  0.874738  1
  Sm  Sm165  1  0.624649  0.249978  0.124909  1
  Sm  Sm166  1  0.624769  0.249916  0.374914  1
  Sm  Sm167  1  0.624769  0.249916  0.624769  1
  Sm  Sm168  1  0.624649  0.249978  0.874774  1
  Sm  Sm169  1  0.624752  0.499842  0.124844  1
  Sm  Sm170  1  0.624798  0.499842  0.374885  1
  Sm  Sm171  1  0.624798  0.499842  0.624798  1
  Sm  Sm172  1  0.624752  0.499842  0.874839  1
  Sm  Sm173  1  0.624649  0.749705  0.124909  1
  Sm  Sm174  1  0.624769  0.749767  0.374914  1
  Sm  Sm175  1  0.624769  0.749767  0.624769  1
  Sm  Sm176  1  0.624649  0.749705  0.874774  1
  Sm  Sm177  1  0.874079  -0.000158  0.125604  1
  Sm  Sm178  1  0.874738  -0.000158  0.374775  1
  Sm  Sm179  1  0.874738  -0.000158  0.624908  1
  Sm  Sm180  1  0.874079  -0.000158  0.874079  1
  Sm  Sm181  1  0.874445  0.250284  0.125238  1
  Sm  Sm182  1  0.874774  0.249978  0.375034  1
  Sm  Sm183  1  0.874774  0.249978  0.624649  1
  Sm  Sm184  1  0.874445  0.250284  0.874445  1
  Sm  Sm185  1  0.874933  0.499842  0.124750  1
  Sm  Sm186  1  0.874839  0.499842  0.374931  1
  Sm  Sm187  1  0.874839  0.499842  0.624752  1
  Sm  Sm188  1  0.874933  0.499842  0.874933  1
  Sm  Sm189  1  0.874445  0.749400  0.125238  1
  Sm  Sm190  1  0.874774  0.749705  0.375034  1
  Sm  Sm191  1  0.874774  0.749705  0.624649  1
  Sm  Sm192  1  0.874445  0.749400  0.874445  1
  Al  Al193  1  0.999842  -0.000158  0.250898  1
  Al  Al194  1  0.999842  -0.000158  0.499842  1
  Al  Al195  1  0.999842  -0.000158  0.748785  1
  Al  Al196  1  0.999842  0.250898  -0.000158  1
  Al  Al197  1  0.999842  0.250063  0.250063  1
  Al  Al198  1  0.999842  0.249880  0.499842  1
  Al  Al199  1  0.999842  0.250063  0.749620  1
  Al  Al200  1  0.999842  0.499842  -0.000158  1
  Al  Al201  1  0.999842  0.499842  0.249880  1
  Al  Al202  1  0.999842  0.499842  0.499842  1
  Al  Al203  1  0.999842  0.499842  0.749803  1
  Al  Al204  1  0.999842  0.748785  -0.000158  1
  Al  Al205  1  0.999842  0.749620  0.250063  1
  Al  Al206  1  0.999842  0.749803  0.499842  1
  Al  Al207  1  0.999842  0.749620  0.749620  1
  Al  Al208  1  0.250898  -0.000158  -0.000158  1
  Al  Al209  1  0.250063  -0.000158  0.250063  1
  Al  Al210  1  0.249880  -0.000158  0.499842  1
  Al  Al211  1  0.250063  -0.000158  0.749620  1
  Al  Al212  1  0.250063  0.250063  -0.000158  1
  Al  Al213  1  0.250065  0.250065  0.250065  1
  Al  Al214  1  0.249892  0.249892  0.499842  1
  Al  Al215  1  0.250065  0.250065  0.749618  1
  Al  Al216  1  0.249880  0.499842  -0.000158  1
  Al  Al217  1  0.249892  0.499842  0.249892  1
  Al  Al218  1  0.249883  0.499842  0.499842  1
  Al  Al219  1  0.249892  0.499842  0.749792  1
  Al  Al220  1  0.250063  0.749620  -0.000158  1
  Al  Al221  1  0.250065  0.749618  0.250065  1
  Al  Al222  1  0.249892  0.749792  0.499842  1
  Al  Al223  1  0.250065  0.749618  0.749618  1
  Al  Al224  1  0.499842  -0.000158  -0.000158  1
  Al  Al225  1  0.499842  -0.000158  0.249880  1
  Al  Al226  1  0.499842  -0.000158  0.499842  1
  Al  Al227  1  0.499842  -0.000158  0.749803  1
  Al  Al228  1  0.499842  0.249880  -0.000158  1
  Al  Al229  1  0.499842  0.249892  0.249892  1
  Al  Al230  1  0.499842  0.249883  0.499842  1
  Al  Al231  1  0.499842  0.249892  0.749792  1
  Al  Al232  1  0.499842  0.499842  -0.000158  1
  Al  Al233  1  0.499842  0.499842  0.249883  1
  Al  Al234  1  0.499842  0.499842  0.499842  1
  Al  Al235  1  0.499842  0.499842  0.749801  1
  Al  Al236  1  0.499842  0.749803  -0.000158  1
  Al  Al237  1  0.499842  0.749792  0.249892  1
  Al  Al238  1  0.499842  0.749801  0.499842  1
  Al  Al239  1  0.499842  0.749792  0.749792  1
  Al  Al240  1  0.748785  -0.000158  -0.000158  1
  Al  Al241  1  0.749620  -0.000158  0.250063  1
  Al  Al242  1  0.749803  -0.000158  0.499842  1
  Al  Al243  1  0.749620  -0.000158  0.749620  1
  Al  Al244  1  0.749620  0.250063  -0.000158  1
  Al  Al245  1  0.749618  0.250065  0.250065  1
  Al  Al246  1  0.749792  0.249892  0.499842  1
  Al  Al247  1  0.749618  0.250065  0.749618  1
  Al  Al248  1  0.749803  0.499842  -0.000158  1
  Al  Al249  1  0.749792  0.499842  0.249892  1
  Al  Al250  1  0.749801  0.499842  0.499842  1
  Al  Al251  1  0.749792  0.499842  0.749792  1
  Al  Al252  1  0.749620  0.749620  -0.000158  1
  Al  Al253  1  0.749618  0.749618  0.250065  1
  Al  Al254  1  0.749792  0.749792  0.499842  1
  Al  Al255  1  0.749618  0.749618  0.749618  1
