# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.31880174
_cell_length_b   18.58953090
_cell_length_c   48.89561758
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.92418479
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm288
_cell_volume   22113.5239618
_cell_formula_units_Z   288
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  0.403983  0.498687  0.307535  1
  Sm  Sm2  1  0.903983  0.498687  0.307535  1
  Sm  Sm3  1  0.105534  0.538164  0.259860  1
  Sm  Sm4  1  0.237316  0.165354  0.307535  1
  Sm  Sm5  1  0.248745  0.514885  0.280071  1
  Sm  Sm6  1  0.438867  0.204831  0.259860  1
  Sm  Sm7  1  0.605534  0.538164  0.259860  1
  Sm  Sm8  1  0.737316  0.165354  0.307535  1
  Sm  Sm9  1  0.748745  0.514885  0.280071  1
  Sm  Sm10  1  0.938867  0.204831  0.259860  1
  Sm  Sm11  1  0.070650  0.832021  0.307535  1
  Sm  Sm12  1  0.082078  0.181552  0.280071  1
  Sm  Sm13  1  0.272201  0.871498  0.259860  1
  Sm  Sm14  1  0.415412  0.848218  0.280071  1
  Sm  Sm15  1  0.570650  0.832021  0.307535  1
  Sm  Sm16  1  0.582078  0.181552  0.280071  1
  Sm  Sm17  1  0.772201  0.871498  0.259860  1
  Sm  Sm18  1  0.915412  0.848218  0.280071  1
  Sm  Sm19  1  0.538627  0.748964  0.248115  1
  Sm  Sm20  1  0.038627  0.748964  0.248115  1
  Sm  Sm21  1  0.181925  0.724889  0.264702  1
  Sm  Sm22  1  0.371960  0.415630  0.248115  1
  Sm  Sm23  1  0.327140  0.666885  0.279364  1
  Sm  Sm24  1  0.515258  0.391556  0.264702  1
  Sm  Sm25  1  0.681925  0.724889  0.264702  1
  Sm  Sm26  1  0.871960  0.415630  0.248115  1
  Sm  Sm27  1  0.827140  0.666885  0.279364  1
  Sm  Sm28  1  1.015258  0.391556  0.264702  1
  Sm  Sm29  1  0.205294  0.082297  0.248115  1
  Sm  Sm30  1  0.160473  0.333552  0.279364  1
  Sm  Sm31  1  0.348591  0.058222  0.264702  1
  Sm  Sm32  1  0.493806  0.000219  0.279364  1
  Sm  Sm33  1  0.705294  0.082297  0.248115  1
  Sm  Sm34  1  0.660473  0.333552  0.279364  1
  Sm  Sm35  1  0.848591  0.058222  0.264702  1
  Sm  Sm36  1  0.993806  0.000219  0.279364  1
  Sm  Sm37  1  0.316808  0.442561  0.357550  1
  Sm  Sm38  1  0.816808  0.442561  0.357550  1
  Sm  Sm39  1  0.049217  0.475173  0.324976  1
  Sm  Sm40  1  0.150142  0.109228  0.357550  1
  Sm  Sm41  1  0.184209  0.456789  0.338292  1
  Sm  Sm42  1  0.382550  0.141840  0.324976  1
  Sm  Sm43  1  0.549217  0.475173  0.324976  1
  Sm  Sm44  1  0.650142  0.109228  0.357550  1
  Sm  Sm45  1  0.684209  0.456789  0.338292  1
  Sm  Sm46  1  0.882550  0.141840  0.324976  1
  Sm  Sm47  1  0.983475  0.775895  0.357550  1
  Sm  Sm48  1  1.017542  0.123456  0.338292  1
  Sm  Sm49  1  0.215883  0.808506  0.324976  1
  Sm  Sm50  1  0.350876  0.790123  0.338292  1
  Sm  Sm51  1  0.483475  0.775895  0.357550  1
  Sm  Sm52  1  0.517542  0.123456  0.338292  1
  Sm  Sm53  1  0.715883  0.808506  0.324976  1
  Sm  Sm54  1  0.850876  0.790123  0.338292  1
  Sm  Sm55  1  0.469730  0.648399  0.297366  1
  Sm  Sm56  1  0.969730  0.648399  0.297366  1
  Sm  Sm57  1  0.102835  0.645548  0.319407  1
  Sm  Sm58  1  0.303063  0.315065  0.297366  1
  Sm  Sm59  1  0.236379  0.628820  0.337970  1
  Sm  Sm60  1  0.436168  0.312215  0.319407  1
  Sm  Sm61  1  0.602835  0.645548  0.319407  1
  Sm  Sm62  1  0.803063  0.315065  0.297366  1
  Sm  Sm63  1  0.736379  0.628820  0.337970  1
  Sm  Sm64  1  0.936168  0.312215  0.319407  1
  Sm  Sm65  1  0.136396  0.981732  0.297366  1
  Sm  Sm66  1  0.069712  0.295487  0.337970  1
  Sm  Sm67  1  0.269501  0.978882  0.319407  1
  Sm  Sm68  1  0.403046  0.962154  0.337970  1
  Sm  Sm69  1  0.636396  0.981732  0.297366  1
  Sm  Sm70  1  0.569712  0.295487  0.337970  1
  Sm  Sm71  1  0.769501  0.978882  0.319407  1
  Sm  Sm72  1  0.903046  0.962154  0.337970  1
  Sm  Sm73  1  0.224961  0.394949  0.414827  1
  Sm  Sm74  1  0.724961  0.394949  0.414827  1
  Sm  Sm75  1  0.952648  0.427223  0.378599  1
  Sm  Sm76  1  0.058294  0.061616  0.414827  1
  Sm  Sm77  1  0.088629  0.411537  0.397047  1
  Sm  Sm78  1  0.285981  0.093890  0.378599  1
  Sm  Sm79  1  0.452648  0.427223  0.378599  1
  Sm  Sm80  1  0.558294  0.061616  0.414827  1
  Sm  Sm81  1  0.588629  0.411537  0.397047  1
  Sm  Sm82  1  0.785981  0.093890  0.378599  1
  Sm  Sm83  1  0.891627  0.728282  0.414827  1
  Sm  Sm84  1  0.921963  0.078204  0.397047  1
  Sm  Sm85  1  0.119315  0.760556  0.378599  1
  Sm  Sm86  1  0.255296  0.744870  0.397047  1
  Sm  Sm87  1  0.391627  0.728282  0.414827  1
  Sm  Sm88  1  0.421963  0.078204  0.397047  1
  Sm  Sm89  1  0.619315  0.760556  0.378599  1
  Sm  Sm90  1  0.755296  0.744870  0.397047  1
  Sm  Sm91  1  0.367502  0.618332  0.358363  1
  Sm  Sm92  1  0.867502  0.618332  0.358363  1
  Sm  Sm93  1  1.001579  0.598912  0.374291  1
  Sm  Sm94  1  0.200835  0.284998  0.358363  1
  Sm  Sm95  1  0.138874  0.577585  0.391893  1
  Sm  Sm96  1  0.334913  0.265578  0.374291  1
  Sm  Sm97  1  0.501579  0.598912  0.374291  1
  Sm  Sm98  1  0.700835  0.284998  0.358363  1
  Sm  Sm99  1  0.638874  0.577585  0.391893  1
  Sm  Sm100  1  0.834913  0.265578  0.374291  1
  Sm  Sm101  1  0.034169  0.951665  0.358363  1
  Sm  Sm102  1  0.972208  0.244252  0.391893  1
  Sm  Sm103  1  0.168246  0.932245  0.374291  1
  Sm  Sm104  1  0.305541  0.910918  0.391893  1
  Sm  Sm105  1  0.534169  0.951665  0.358363  1
  Sm  Sm106  1  0.472208  0.244252  0.391893  1
  Sm  Sm107  1  0.668246  0.932245  0.374291  1
  Sm  Sm108  1  0.805541  0.910918  0.391893  1
  Sm  Sm109  1  0.131671  0.343210  0.470184  1
  Sm  Sm110  1  0.631671  0.343210  0.470184  1
  Sm  Sm111  1  0.860522  0.376970  0.432600  1
  Sm  Sm112  1  0.965004  0.009876  0.470184  1
  Sm  Sm113  1  0.996168  0.359806  0.451450  1
  Sm  Sm114  1  0.193855  0.043636  0.432600  1
  Sm  Sm115  1  0.360522  0.376970  0.432600  1
  Sm  Sm116  1  0.465004  0.009876  0.470184  1
  Sm  Sm117  1  0.496168  0.359806  0.451450  1
  Sm  Sm118  1  0.693855  0.043636  0.432600  1
  Sm  Sm119  1  0.798338  0.676543  0.470184  1
  Sm  Sm120  1  0.829502  0.026472  0.451450  1
  Sm  Sm121  1  1.027189  0.710303  0.432600  1
  Sm  Sm122  1  0.162835  0.693139  0.451450  1
  Sm  Sm123  1  0.298338  0.676543  0.470184  1
  Sm  Sm124  1  0.329502  0.026472  0.451450  1
  Sm  Sm125  1  0.527189  0.710303  0.432600  1
  Sm  Sm126  1  0.662835  0.693139  0.451450  1
  Sm  Sm127  1  0.274666  0.562803  0.411251  1
  Sm  Sm128  1  0.774666  0.562803  0.411251  1
  Sm  Sm129  1  0.909865  0.547395  0.430538  1
  Sm  Sm130  1  0.108000  0.229469  0.411251  1
  Sm  Sm131  1  0.045131  0.530194  0.448091  1
  Sm  Sm132  1  0.243199  0.214062  0.430538  1
  Sm  Sm133  1  0.409865  0.547395  0.430538  1
  Sm  Sm134  1  0.608000  0.229469  0.411251  1
  Sm  Sm135  1  0.545131  0.530194  0.448091  1
  Sm  Sm136  1  0.743199  0.214062  0.430538  1
  Sm  Sm137  1  0.941333  0.896136  0.411251  1
  Sm  Sm138  1  0.878464  0.196861  0.448091  1
  Sm  Sm139  1  0.076532  0.880728  0.430538  1
  Sm  Sm140  1  0.211797  0.863528  0.448091  1
  Sm  Sm141  1  0.441333  0.896136  0.411251  1
  Sm  Sm142  1  0.378464  0.196861  0.448091  1
  Sm  Sm143  1  0.576532  0.880728  0.430538  1
  Sm  Sm144  1  0.711797  0.863528  0.448091  1
  Sm  Sm145  1  0.037559  0.293381  0.525150  1
  Sm  Sm146  1  0.537559  0.293381  0.525150  1
  Sm  Sm147  1  0.767095  0.325989  0.488310  1
  Sm  Sm148  1  0.870892  0.960047  0.525150  1
  Sm  Sm149  1  0.902360  0.308788  0.505862  1
  Sm  Sm150  1  0.100428  0.992656  0.488310  1
  Sm  Sm151  1  0.267095  0.325989  0.488310  1
  Sm  Sm152  1  0.370892  0.960047  0.525150  1
  Sm  Sm153  1  0.402360  0.308788  0.505862  1
  Sm  Sm154  1  0.600428  0.992656  0.488310  1
  Sm  Sm155  1  0.704225  0.626714  0.525150  1
  Sm  Sm156  1  0.735693  0.975455  0.505862  1
  Sm  Sm157  1  0.933761  0.659322  0.488310  1
  Sm  Sm158  1  0.069026  0.642122  0.505862  1
  Sm  Sm159  1  0.204225  0.626714  0.525150  1
  Sm  Sm160  1  0.235693  0.975455  0.505862  1
  Sm  Sm161  1  0.433761  0.659322  0.488310  1
  Sm  Sm162  1  0.569026  0.642122  0.505862  1
  Sm  Sm163  1  0.180554  0.512974  0.466217  1
  Sm  Sm164  1  0.680554  0.512974  0.466217  1
  Sm  Sm165  1  0.816057  0.496378  0.484951  1
  Sm  Sm166  1  1.013887  0.179640  0.466217  1
  Sm  Sm167  1  0.951703  0.479214  0.503800  1
  Sm  Sm168  1  0.149390  0.163044  0.484951  1
  Sm  Sm169  1  0.316057  0.496378  0.484951  1
  Sm  Sm170  1  0.513887  0.179640  0.466217  1
  Sm  Sm171  1  0.451703  0.479214  0.503800  1
  Sm  Sm172  1  0.649390  0.163044  0.484951  1
  Sm  Sm173  1  0.847221  0.846307  0.466217  1
  Sm  Sm174  1  0.785037  0.145880  0.503800  1
  Sm  Sm175  1  0.982723  0.829711  0.484951  1
  Sm  Sm176  1  0.118370  0.812547  0.503800  1
  Sm  Sm177  1  0.347221  0.846307  0.466217  1
  Sm  Sm178  1  0.285037  0.145880  0.503800  1
  Sm  Sm179  1  0.482723  0.829711  0.484951  1
  Sm  Sm180  1  0.618370  0.812547  0.503800  1
  Sm  Sm181  1  0.944723  0.237852  0.578038  1
  Sm  Sm182  1  0.444723  0.237852  0.578038  1
  Sm  Sm183  1  0.673351  0.278598  0.544507  1
  Sm  Sm184  1  0.778057  0.904518  0.578038  1
  Sm  Sm185  1  0.810646  0.257272  0.562110  1
  Sm  Sm186  1  1.006684  0.945265  0.544507  1
  Sm  Sm187  1  0.173351  0.278598  0.544507  1
  Sm  Sm188  1  0.278057  0.904518  0.578038  1
  Sm  Sm189  1  0.310646  0.257272  0.562110  1
  Sm  Sm190  1  0.506684  0.945265  0.544507  1
  Sm  Sm191  1  0.611390  0.571185  0.578038  1
  Sm  Sm192  1  0.643979  0.923938  0.562110  1
  Sm  Sm193  1  0.840017  0.611932  0.544507  1
  Sm  Sm194  1  0.977312  0.590605  0.562110  1
  Sm  Sm195  1  0.111390  0.571185  0.578038  1
  Sm  Sm196  1  0.143979  0.923938  0.562110  1
  Sm  Sm197  1  0.340017  0.611932  0.544507  1
  Sm  Sm198  1  0.477312  0.590605  0.562110  1
  Sm  Sm199  1  0.087264  0.461234  0.521573  1
  Sm  Sm200  1  0.587264  0.461234  0.521573  1
  Sm  Sm201  1  0.723596  0.444646  0.539354  1
  Sm  Sm202  1  0.920598  0.127901  0.521573  1
  Sm  Sm203  1  0.859577  0.428960  0.557802  1
  Sm  Sm204  1  0.056929  0.111313  0.539354  1
  Sm  Sm205  1  0.223596  0.444646  0.539354  1
  Sm  Sm206  1  0.420598  0.127901  0.521573  1
  Sm  Sm207  1  0.359577  0.428960  0.557802  1
  Sm  Sm208  1  0.556929  0.111313  0.539354  1
  Sm  Sm209  1  0.753931  0.794568  0.521573  1
  Sm  Sm210  1  0.692910  0.095627  0.557802  1
  Sm  Sm211  1  0.890262  0.777980  0.539354  1
  Sm  Sm212  1  1.026244  0.762294  0.557802  1
  Sm  Sm213  1  0.253931  0.794568  0.521573  1
  Sm  Sm214  1  0.192910  0.095627  0.557802  1
  Sm  Sm215  1  0.390262  0.777980  0.539354  1
  Sm  Sm216  1  0.526244  0.762294  0.557802  1
  Sm  Sm217  1  0.842496  0.207785  0.639035  1
  Sm  Sm218  1  0.342496  0.207785  0.639035  1
  Sm  Sm219  1  0.575846  0.227363  0.598431  1
  Sm  Sm220  1  0.675829  0.874451  0.639035  1
  Sm  Sm221  1  0.709391  0.210635  0.616994  1
  Sm  Sm222  1  0.909180  0.894030  0.598431  1
  Sm  Sm223  1  0.075846  0.227363  0.598431  1
  Sm  Sm224  1  0.175829  0.874451  0.639035  1
  Sm  Sm225  1  0.209391  0.210635  0.616994  1
  Sm  Sm226  1  0.409180  0.894030  0.598431  1
  Sm  Sm227  1  0.509162  0.541118  0.639035  1
  Sm  Sm228  1  0.542724  0.877302  0.616994  1
  Sm  Sm229  1  0.742513  0.560696  0.598431  1
  Sm  Sm230  1  0.876057  0.543968  0.616994  1
  Sm  Sm231  1  1.009162  0.541118  0.639035  1
  Sm  Sm232  1  0.042724  0.877302  0.616994  1
  Sm  Sm233  1  0.242513  0.560696  0.598431  1
  Sm  Sm234  1  0.376057  0.543968  0.616994  1
  Sm  Sm235  1  0.995417  0.413622  0.578851  1
  Sm  Sm236  1  0.495417  0.413622  0.578851  1
  Sm  Sm237  1  0.628016  0.399394  0.598109  1
  Sm  Sm238  1  0.828750  0.080289  0.578851  1
  Sm  Sm239  1  0.763008  0.381010  0.611425  1
  Sm  Sm240  1  0.961349  0.066061  0.598109  1
  Sm  Sm241  1  0.128016  0.399394  0.598109  1
  Sm  Sm242  1  0.328750  0.080289  0.578851  1
  Sm  Sm243  1  0.263008  0.381010  0.611425  1
  Sm  Sm244  1  0.461349  0.066061  0.598109  1
  Sm  Sm245  1  0.662083  0.746955  0.578851  1
  Sm  Sm246  1  0.596342  0.047677  0.611425  1
  Sm  Sm247  1  0.794683  0.732727  0.598109  1
  Sm  Sm248  1  0.929675  0.714344  0.611425  1
  Sm  Sm249  1  0.162083  0.746955  0.578851  1
  Sm  Sm250  1  0.096342  0.047677  0.611425  1
  Sm  Sm251  1  0.294683  0.732727  0.598109  1
  Sm  Sm252  1  0.429675  0.714344  0.611425  1
  Sm  Sm253  1  0.773598  0.107220  0.688286  1
  Sm  Sm254  1  0.273598  0.107220  0.688286  1
  Sm  Sm255  1  0.485085  0.189298  0.657037  1
  Sm  Sm256  1  0.606931  0.773886  0.688286  1
  Sm  Sm257  1  0.630300  0.131294  0.671699  1
  Sm  Sm258  1  0.818419  0.855965  0.657037  1
  Sm  Sm259  1  0.985085  0.189298  0.657037  1
  Sm  Sm260  1  0.106931  0.773886  0.688286  1
  Sm  Sm261  1  0.130300  0.131294  0.671699  1
  Sm  Sm262  1  0.318419  0.855965  0.657037  1
  Sm  Sm263  1  0.440265  0.440553  0.688286  1
  Sm  Sm264  1  0.463634  0.797961  0.671699  1
  Sm  Sm265  1  0.651752  0.522631  0.657037  1
  Sm  Sm266  1  0.796967  0.464628  0.671699  1
  Sm  Sm267  1  0.940265  0.440553  0.688286  1
  Sm  Sm268  1  0.963634  0.797961  0.671699  1
  Sm  Sm269  1  0.151752  0.522631  0.657037  1
  Sm  Sm270  1  0.296967  0.464628  0.671699  1
  Sm  Sm271  1  0.908242  0.357496  0.628865  1
  Sm  Sm272  1  0.408242  0.357496  0.628865  1
  Sm  Sm273  1  0.563480  0.341298  0.656330  1
  Sm  Sm274  1  0.741576  0.024163  0.628865  1
  Sm  Sm275  1  0.706691  0.318019  0.676540  1
  Sm  Sm276  1  0.896814  0.007965  0.656330  1
  Sm  Sm277  1  0.063480  0.341298  0.656330  1
  Sm  Sm278  1  0.241576  0.024163  0.628865  1
  Sm  Sm279  1  0.206691  0.318019  0.676540  1
  Sm  Sm280  1  0.396814  0.007965  0.656330  1
  Sm  Sm281  1  0.574909  0.690829  0.628865  1
  Sm  Sm282  1  0.540024  0.984686  0.676540  1
  Sm  Sm283  1  0.730147  0.674632  0.656330  1
  Sm  Sm284  1  0.873358  0.651352  0.676540  1
  Sm  Sm285  1  0.074909  0.690829  0.628865  1
  Sm  Sm286  1  0.040024  0.984686  0.676540  1
  Sm  Sm287  1  0.230147  0.674632  0.656330  1
  Sm  Sm288  1  0.373358  0.651352  0.676540  1
