# generated using pymatgen
data_Sm64Al255
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.98675538
_cell_length_b   16.98675554
_cell_length_c   22.42983045
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm64Al255
_chemical_formula_sum   'Sm64 Al255'
_cell_volume   6472.12445696
_cell_formula_units_Z   1
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  0.123324  0.123327  0.003601  1
  Sm  Sm2  1  0.128181  0.127862  0.503466  1
  Sm  Sm3  1  0.123513  0.373327  0.003589  1
  Sm  Sm4  1  0.124251  0.374327  0.503036  1
  Sm  Sm5  1  0.123513  0.624590  0.003589  1
  Sm  Sm6  1  0.124251  0.623590  0.503036  1
  Sm  Sm7  1  0.123324  0.874590  0.003601  1
  Sm  Sm8  1  0.128181  0.870055  0.503466  1
  Sm  Sm9  1  0.373324  0.123487  0.003615  1
  Sm  Sm10  1  0.374530  0.124379  0.504120  1
  Sm  Sm11  1  0.373470  0.373449  0.003565  1
  Sm  Sm12  1  0.374452  0.374494  0.503639  1
  Sm  Sm13  1  0.373470  0.624468  0.003565  1
  Sm  Sm14  1  0.374452  0.623422  0.503639  1
  Sm  Sm15  1  0.373324  0.874430  0.003615  1
  Sm  Sm16  1  0.374530  0.873538  0.504120  1
  Sm  Sm17  1  0.624593  0.123487  0.003615  1
  Sm  Sm18  1  0.623387  0.124379  0.504120  1
  Sm  Sm19  1  0.624447  0.373449  0.003565  1
  Sm  Sm20  1  0.623465  0.374494  0.503639  1
  Sm  Sm21  1  0.624447  0.624468  0.003565  1
  Sm  Sm22  1  0.623465  0.623422  0.503639  1
  Sm  Sm23  1  0.624593  0.874430  0.003615  1
  Sm  Sm24  1  0.623387  0.873538  0.504120  1
  Sm  Sm25  1  0.874593  0.123327  0.003601  1
  Sm  Sm26  1  0.869736  0.127862  0.503466  1
  Sm  Sm27  1  0.874404  0.373327  0.003589  1
  Sm  Sm28  1  0.873666  0.374327  0.503036  1
  Sm  Sm29  1  0.874404  0.624590  0.003589  1
  Sm  Sm30  1  0.873666  0.623590  0.503036  1
  Sm  Sm31  1  0.874593  0.874590  0.003601  1
  Sm  Sm32  1  0.869736  0.870055  0.503466  1
  Sm  Sm33  1  -0.001042  -0.001042  0.257559  1
  Sm  Sm34  1  -0.001042  -0.001042  0.749848  1
  Sm  Sm35  1  -0.001042  0.249367  0.255742  1
  Sm  Sm36  1  -0.001042  0.248210  0.751231  1
  Sm  Sm37  1  -0.001042  0.498958  0.252837  1
  Sm  Sm38  1  -0.001042  0.498958  0.753630  1
  Sm  Sm39  1  -0.001042  0.748550  0.255742  1
  Sm  Sm40  1  -0.001042  0.749706  0.751231  1
  Sm  Sm41  1  0.247956  -0.001042  0.256242  1
  Sm  Sm42  1  0.248997  -0.001042  0.751384  1
  Sm  Sm43  1  0.248301  0.248278  0.254499  1
  Sm  Sm44  1  0.248211  0.248309  0.752648  1
  Sm  Sm45  1  0.249237  0.498958  0.252564  1
  Sm  Sm46  1  0.248631  0.498958  0.754218  1
  Sm  Sm47  1  0.248301  0.749639  0.254499  1
  Sm  Sm48  1  0.248211  0.749608  0.752648  1
  Sm  Sm49  1  0.498958  -0.001042  0.253454  1
  Sm  Sm50  1  0.498958  -0.001042  0.754219  1
  Sm  Sm51  1  0.498958  0.248653  0.252884  1
  Sm  Sm52  1  0.498958  0.249143  0.754513  1
  Sm  Sm53  1  0.498958  0.498958  0.252391  1
  Sm  Sm54  1  0.498958  0.498958  0.754735  1
  Sm  Sm55  1  0.498958  0.749264  0.252884  1
  Sm  Sm56  1  0.498958  0.748774  0.754513  1
  Sm  Sm57  1  0.749961  -0.001042  0.256242  1
  Sm  Sm58  1  0.748920  -0.001042  0.751384  1
  Sm  Sm59  1  0.749616  0.248278  0.254499  1
  Sm  Sm60  1  0.749706  0.248309  0.752648  1
  Sm  Sm61  1  0.748680  0.498958  0.252564  1
  Sm  Sm62  1  0.749286  0.498958  0.754218  1
  Sm  Sm63  1  0.749616  0.749639  0.254499  1
  Sm  Sm64  1  0.749706  0.749608  0.752648  1
  Al  Al65  1  -0.001042  -0.001042  0.947302  1
  Al  Al66  1  -0.001042  0.247613  0.444188  1
  Al  Al67  1  -0.001042  0.247231  0.947390  1
  Al  Al68  1  -0.001042  0.498958  0.447360  1
  Al  Al69  1  -0.001042  0.498958  0.947487  1
  Al  Al70  1  -0.001042  0.750304  0.444188  1
  Al  Al71  1  -0.001042  0.750686  0.947390  1
  Al  Al72  1  0.252832  -0.001042  0.449230  1
  Al  Al73  1  0.247191  -0.001042  0.947451  1
  Al  Al74  1  0.251177  0.249726  0.447415  1
  Al  Al75  1  0.247543  0.247695  0.947482  1
  Al  Al76  1  0.250004  0.498958  0.447567  1
  Al  Al77  1  0.248205  0.498958  0.947494  1
  Al  Al78  1  0.251177  0.748190  0.447415  1
  Al  Al79  1  0.247543  0.750222  0.947482  1
  Al  Al80  1  0.498958  -0.001042  0.448052  1
  Al  Al81  1  0.498958  -0.001042  0.947542  1
  Al  Al82  1  0.498958  0.249462  0.447784  1
  Al  Al83  1  0.498958  0.248423  0.947566  1
  Al  Al84  1  0.498958  0.498958  0.447559  1
  Al  Al85  1  0.498958  0.498958  0.947560  1
  Al  Al86  1  0.498958  0.748455  0.447784  1
  Al  Al87  1  0.498958  0.749494  0.947566  1
  Al  Al88  1  0.745085  -0.001042  0.449230  1
  Al  Al89  1  0.750726  -0.001042  0.947451  1
  Al  Al90  1  0.746740  0.249726  0.447415  1
  Al  Al91  1  0.750374  0.247695  0.947482  1
  Al  Al92  1  0.747913  0.498958  0.447567  1
  Al  Al93  1  0.749712  0.498958  0.947494  1
  Al  Al94  1  0.746740  0.748190  0.447415  1
  Al  Al95  1  0.750374  0.750222  0.947482  1
  Al  Al96  1  -0.001042  0.105579  0.395365  1
  Al  Al97  1  -0.001042  0.122942  0.876051  1
  Al  Al98  1  -0.001042  0.374765  0.377912  1
  Al  Al99  1  -0.001042  0.372946  0.878957  1
  Al  Al100  1  -0.001042  0.623152  0.377912  1
  Al  Al101  1  -0.001042  0.624971  0.878957  1
  Al  Al102  1  -0.001042  0.892338  0.395365  1
  Al  Al103  1  -0.001042  0.874975  0.876051  1
  Al  Al104  1  0.249351  0.123572  0.378669  1
  Al  Al105  1  0.246053  0.123196  0.877107  1
  Al  Al106  1  0.249854  0.374614  0.378067  1
  Al  Al107  1  0.247835  0.373202  0.878958  1
  Al  Al108  1  0.249854  0.623303  0.378067  1
  Al  Al109  1  0.247835  0.624715  0.878958  1
  Al  Al110  1  0.249351  0.874345  0.378669  1
  Al  Al111  1  0.246053  0.874721  0.877107  1
  Al  Al112  1  0.498958  0.124116  0.379003  1
  Al  Al113  1  0.498958  0.123669  0.878354  1
  Al  Al114  1  0.498958  0.374196  0.378100  1
  Al  Al115  1  0.498958  0.373649  0.878908  1
  Al  Al116  1  0.498958  0.623721  0.378100  1
  Al  Al117  1  0.498958  0.624267  0.878908  1
  Al  Al118  1  0.498958  0.873801  0.379003  1
  Al  Al119  1  0.498958  0.874247  0.878354  1
  Al  Al120  1  0.748566  0.123572  0.378669  1
  Al  Al121  1  0.751864  0.123196  0.877107  1
  Al  Al122  1  0.748063  0.374614  0.378067  1
  Al  Al123  1  0.750082  0.373202  0.878958  1
  Al  Al124  1  0.748063  0.623303  0.378067  1
  Al  Al125  1  0.750082  0.624715  0.878958  1
  Al  Al126  1  0.748566  0.874345  0.378669  1
  Al  Al127  1  0.751864  0.874721  0.877107  1
  Al  Al128  1  0.119243  -0.001042  0.390718  1
  Al  Al129  1  0.122965  -0.001042  0.876041  1
  Al  Al130  1  0.126128  0.251744  0.378475  1
  Al  Al131  1  0.123124  0.246244  0.876964  1
  Al  Al132  1  0.124502  0.498958  0.379094  1
  Al  Al133  1  0.123507  0.498958  0.878111  1
  Al  Al134  1  0.126128  0.746173  0.378475  1
  Al  Al135  1  0.123124  0.751673  0.876964  1
  Al  Al136  1  0.375010  -0.001042  0.378348  1
  Al  Al137  1  0.372923  -0.001042  0.879112  1
  Al  Al138  1  0.374941  0.249440  0.377986  1
  Al  Al139  1  0.373127  0.248212  0.879118  1
  Al  Al140  1  0.374484  0.498958  0.377840  1
  Al  Al141  1  0.373516  0.498958  0.879001  1
  Al  Al142  1  0.374941  0.748477  0.377986  1
  Al  Al143  1  0.373127  0.749705  0.879118  1
  Al  Al144  1  0.622907  -0.001042  0.378348  1
  Al  Al145  1  0.624994  -0.001042  0.879112  1
  Al  Al146  1  0.622976  0.249440  0.377986  1
  Al  Al147  1  0.624790  0.248212  0.879118  1
  Al  Al148  1  0.623433  0.498958  0.377840  1
  Al  Al149  1  0.624401  0.498958  0.879001  1
  Al  Al150  1  0.622976  0.748477  0.377986  1
  Al  Al151  1  0.624790  0.749705  0.879118  1
  Al  Al152  1  0.878674  -0.001042  0.390718  1
  Al  Al153  1  0.874952  -0.001042  0.876041  1
  Al  Al154  1  0.871789  0.251744  0.378475  1
  Al  Al155  1  0.874792  0.246244  0.876964  1
  Al  Al156  1  0.873415  0.498958  0.379094  1
  Al  Al157  1  0.874410  0.498958  0.878111  1
  Al  Al158  1  0.871789  0.746173  0.378475  1
  Al  Al159  1  0.874792  0.751673  0.876964  1
  Al  Al160  1  0.117099  0.121440  0.317115  1
  Al  Al161  1  0.123238  0.123267  0.803881  1
  Al  Al162  1  0.124591  0.375955  0.308906  1
  Al  Al163  1  0.123281  0.373018  0.809584  1
  Al  Al164  1  0.124591  0.621962  0.308906  1
  Al  Al165  1  0.123281  0.624899  0.809584  1
  Al  Al166  1  0.117099  0.876477  0.317115  1
  Al  Al167  1  0.123238  0.874650  0.803881  1
  Al  Al168  1  0.374478  0.124183  0.309556  1
  Al  Al169  1  0.372921  0.123555  0.810062  1
  Al  Al170  1  0.374356  0.374132  0.308505  1
  Al  Al171  1  0.373171  0.373408  0.810548  1
  Al  Al172  1  0.374356  0.623785  0.308505  1
  Al  Al173  1  0.373171  0.624509  0.810548  1
  Al  Al174  1  0.374478  0.873734  0.309556  1
  Al  Al175  1  0.372921  0.874362  0.810062  1
  Al  Al176  1  0.623439  0.124183  0.309556  1
  Al  Al177  1  0.624996  0.123555  0.810062  1
  Al  Al178  1  0.623561  0.374132  0.308505  1
  Al  Al179  1  0.624746  0.373408  0.810548  1
  Al  Al180  1  0.623561  0.623785  0.308505  1
  Al  Al181  1  0.624746  0.624509  0.810548  1
  Al  Al182  1  0.623439  0.873734  0.309556  1
  Al  Al183  1  0.624996  0.874362  0.810062  1
  Al  Al184  1  0.880818  0.121440  0.317115  1
  Al  Al185  1  0.874679  0.123267  0.803881  1
  Al  Al186  1  0.873326  0.375955  0.308906  1
  Al  Al187  1  0.874636  0.373018  0.809584  1
  Al  Al188  1  0.873326  0.621962  0.308906  1
  Al  Al189  1  0.874636  0.624899  0.809584  1
  Al  Al190  1  0.880818  0.876477  0.317115  1
  Al  Al191  1  0.874679  0.874650  0.803881  1
  Al  Al192  1  0.123249  0.123188  0.203639  1
  Al  Al193  1  0.120456  0.118198  0.690466  1
  Al  Al194  1  0.123627  0.372907  0.196979  1
  Al  Al195  1  0.124025  0.374397  0.697545  1
  Al  Al196  1  0.123627  0.625010  0.196979  1
  Al  Al197  1  0.124025  0.623520  0.697545  1
  Al  Al198  1  0.123249  0.874729  0.203639  1
  Al  Al199  1  0.120456  0.879719  0.690466  1
  Al  Al200  1  0.372939  0.123209  0.197550  1
  Al  Al201  1  0.375509  0.124579  0.698122  1
  Al  Al202  1  0.373446  0.373149  0.196567  1
  Al  Al203  1  0.374049  0.374333  0.698609  1
  Al  Al204  1  0.373446  0.624768  0.196567  1
  Al  Al205  1  0.374049  0.623584  0.698609  1
  Al  Al206  1  0.372939  0.874708  0.197550  1
  Al  Al207  1  0.375509  0.873338  0.698122  1
  Al  Al208  1  0.624978  0.123209  0.197550  1
  Al  Al209  1  0.622408  0.124579  0.698122  1
  Al  Al210  1  0.624471  0.373149  0.196567  1
  Al  Al211  1  0.623868  0.374333  0.698609  1
  Al  Al212  1  0.624471  0.624768  0.196567  1
  Al  Al213  1  0.623868  0.623584  0.698609  1
  Al  Al214  1  0.624978  0.874708  0.197550  1
  Al  Al215  1  0.622408  0.873338  0.698122  1
  Al  Al216  1  0.874668  0.123188  0.203639  1
  Al  Al217  1  0.877461  0.118198  0.690466  1
  Al  Al218  1  0.874290  0.372907  0.196979  1
  Al  Al219  1  0.873892  0.374397  0.697545  1
  Al  Al220  1  0.874290  0.625010  0.196979  1
  Al  Al221  1  0.873892  0.623520  0.697545  1
  Al  Al222  1  0.874668  0.874729  0.203639  1
  Al  Al223  1  0.877461  0.879719  0.690466  1
  Al  Al224  1  0.122881  -0.001042  0.131331  1
  Al  Al225  1  0.108699  -0.001042  0.613368  1
  Al  Al226  1  0.123184  0.245882  0.130139  1
  Al  Al227  1  0.123257  0.249408  0.628194  1
  Al  Al228  1  0.123721  0.498958  0.128752  1
  Al  Al229  1  0.123974  0.498958  0.628214  1
  Al  Al230  1  0.123184  0.752035  0.130139  1
  Al  Al231  1  0.123257  0.748509  0.628194  1
  Al  Al232  1  0.372871  -0.001042  0.128193  1
  Al  Al233  1  0.374873  -0.001042  0.629354  1
  Al  Al234  1  0.373208  0.247785  0.128198  1
  Al  Al235  1  0.374530  0.249789  0.629108  1
  Al  Al236  1  0.373706  0.498958  0.128223  1
  Al  Al237  1  0.374091  0.498958  0.629064  1
  Al  Al238  1  0.373208  0.750132  0.128198  1
  Al  Al239  1  0.374530  0.748128  0.629108  1
  Al  Al240  1  0.625046  -0.001042  0.128193  1
  Al  Al241  1  0.623044  -0.001042  0.629354  1
  Al  Al242  1  0.624709  0.247785  0.128198  1
  Al  Al243  1  0.623387  0.249789  0.629108  1
  Al  Al244  1  0.624211  0.498958  0.128223  1
  Al  Al245  1  0.623826  0.498958  0.629064  1
  Al  Al246  1  0.624709  0.750132  0.128198  1
  Al  Al247  1  0.623387  0.748128  0.629108  1
  Al  Al248  1  0.875036  -0.001042  0.131331  1
  Al  Al249  1  0.889218  -0.001042  0.613368  1
  Al  Al250  1  0.874733  0.245882  0.130139  1
  Al  Al251  1  0.874659  0.249408  0.628194  1
  Al  Al252  1  0.874196  0.498958  0.128752  1
  Al  Al253  1  0.873943  0.498958  0.628214  1
  Al  Al254  1  0.874733  0.752035  0.130139  1
  Al  Al255  1  0.874659  0.748509  0.628194  1
  Al  Al256  1  -0.001042  0.122938  0.131322  1
  Al  Al257  1  -0.001042  0.117320  0.615549  1
  Al  Al258  1  -0.001042  0.372908  0.128015  1
  Al  Al259  1  -0.001042  0.374493  0.628459  1
  Al  Al260  1  -0.001042  0.625009  0.128015  1
  Al  Al261  1  -0.001042  0.623424  0.628459  1
  Al  Al262  1  -0.001042  0.874979  0.131322  1
  Al  Al263  1  -0.001042  0.880597  0.615549  1
  Al  Al264  1  0.246068  0.123069  0.130338  1
  Al  Al265  1  0.250940  0.125621  0.628776  1
  Al  Al266  1  0.248283  0.373110  0.127982  1
  Al  Al267  1  0.249316  0.374825  0.629142  1
  Al  Al268  1  0.248283  0.624807  0.127982  1
  Al  Al269  1  0.249316  0.623091  0.629142  1
  Al  Al270  1  0.246068  0.874848  0.130338  1
  Al  Al271  1  0.250940  0.872296  0.628776  1
  Al  Al272  1  0.498958  0.123508  0.129081  1
  Al  Al273  1  0.498958  0.124509  0.628245  1
  Al  Al274  1  0.498958  0.373521  0.128092  1
  Al  Al275  1  0.498958  0.374488  0.629394  1
  Al  Al276  1  0.498958  0.624396  0.128092  1
  Al  Al277  1  0.498958  0.623429  0.629394  1
  Al  Al278  1  0.498958  0.874409  0.129081  1
  Al  Al279  1  0.498958  0.873408  0.628245  1
  Al  Al280  1  0.751849  0.123069  0.130338  1
  Al  Al281  1  0.746977  0.125621  0.628776  1
  Al  Al282  1  0.749634  0.373110  0.127982  1
  Al  Al283  1  0.748600  0.374825  0.629142  1
  Al  Al284  1  0.749634  0.624807  0.127982  1
  Al  Al285  1  0.748600  0.623091  0.629142  1
  Al  Al286  1  0.751849  0.874848  0.130338  1
  Al  Al287  1  0.746977  0.872296  0.628776  1
  Al  Al288  1  -0.001042  -0.001042  0.059997  1
  Al  Al289  1  -0.001042  -0.001042  0.506506  1
  Al  Al290  1  -0.001042  0.247098  0.059794  1
  Al  Al291  1  -0.001042  0.251888  0.557442  1
  Al  Al292  1  -0.001042  0.498958  0.059645  1
  Al  Al293  1  -0.001042  0.498958  0.559189  1
  Al  Al294  1  -0.001042  0.750819  0.059794  1
  Al  Al295  1  -0.001042  0.746029  0.557442  1
  Al  Al296  1  0.247095  -0.001042  0.059848  1
  Al  Al297  1  0.248753  -0.001042  0.562248  1
  Al  Al298  1  0.247664  0.247448  0.059741  1
  Al  Al299  1  0.249714  0.250852  0.559874  1
  Al  Al300  1  0.248494  0.498958  0.059572  1
  Al  Al301  1  0.249254  0.498958  0.559472  1
  Al  Al302  1  0.247664  0.750469  0.059741  1
  Al  Al303  1  0.249714  0.747065  0.559874  1
  Al  Al304  1  0.498958  -0.001042  0.059714  1
  Al  Al305  1  0.498958  -0.001042  0.559882  1
  Al  Al306  1  0.498958  0.248177  0.059650  1
  Al  Al307  1  0.498958  0.250013  0.559719  1
  Al  Al308  1  0.498958  0.498958  0.059518  1
  Al  Al309  1  0.498958  0.498958  0.559716  1
  Al  Al310  1  0.498958  0.749740  0.059650  1
  Al  Al311  1  0.498958  0.747904  0.559719  1
  Al  Al312  1  0.750822  -0.001042  0.059848  1
  Al  Al313  1  0.749164  -0.001042  0.562248  1
  Al  Al314  1  0.750253  0.247448  0.059741  1
  Al  Al315  1  0.748203  0.250852  0.559874  1
  Al  Al316  1  0.749423  0.498958  0.059572  1
  Al  Al317  1  0.748663  0.498958  0.559472  1
  Al  Al318  1  0.750253  0.750469  0.059741  1
  Al  Al319  1  0.748203  0.747065  0.559874  1
