# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.97811268
_cell_length_b   11.55801399
_cell_length_c   46.18010536
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.16464909
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm168
_cell_volume   13571.0523738
_cell_formula_units_Z   168
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  0.722992  0.225653  0.314433  1
  Sm  Sm2  1  0.722992  0.892320  0.314433  1
  Sm  Sm3  1  0.210191  0.184494  0.286472  1
  Sm  Sm4  1  0.722992  0.558986  0.314433  1
  Sm  Sm5  1  0.210191  0.851160  0.286472  1
  Sm  Sm6  1  0.210191  0.517827  0.286472  1
  Sm  Sm7  1  0.981041  0.254840  0.330455  1
  Sm  Sm8  1  0.981041  0.921507  0.330455  1
  Sm  Sm9  1  0.465310  0.204106  0.301620  1
  Sm  Sm10  1  0.981041  0.588173  0.330455  1
  Sm  Sm11  1  0.465310  0.870773  0.301620  1
  Sm  Sm12  1  0.465310  0.537439  0.301620  1
  Sm  Sm13  1  0.103630  0.393638  0.321569  1
  Sm  Sm14  1  0.103630  0.060304  0.321569  1
  Sm  Sm15  1  0.587455  0.347435  0.292245  1
  Sm  Sm16  1  0.103630  0.726971  0.321569  1
  Sm  Sm17  1  0.587455  0.014102  0.292245  1
  Sm  Sm18  1  0.587455  0.680769  0.292245  1
  Sm  Sm19  1  0.858178  0.106034  0.336431  1
  Sm  Sm20  1  0.858178  0.772701  0.336431  1
  Sm  Sm21  1  0.342030  0.053133  0.306436  1
  Sm  Sm22  1  0.858178  0.439367  0.336431  1
  Sm  Sm23  1  0.342030  0.719800  0.306436  1
  Sm  Sm24  1  0.342030  0.386466  0.306436  1
  Sm  Sm25  1  0.762886  0.345061  0.379813  1
  Sm  Sm26  1  0.762886  0.011728  0.379813  1
  Sm  Sm27  1  0.247896  0.297818  0.351337  1
  Sm  Sm28  1  0.762886  0.678394  0.379813  1
  Sm  Sm29  1  0.247896  0.964484  0.351337  1
  Sm  Sm30  1  0.247896  0.631151  0.351337  1
  Sm  Sm31  1  0.025687  0.372727  0.392346  1
  Sm  Sm32  1  0.025687  0.039393  0.392346  1
  Sm  Sm33  1  0.506519  0.321458  0.363911  1
  Sm  Sm34  1  0.025687  0.706060  0.392346  1
  Sm  Sm35  1  0.506519  0.988125  0.363911  1
  Sm  Sm36  1  0.506519  0.654792  0.363911  1
  Sm  Sm37  1  0.146071  0.522068  0.384220  1
  Sm  Sm38  1  0.146071  0.188735  0.384220  1
  Sm  Sm39  1  0.624732  0.465527  0.356493  1
  Sm  Sm40  1  0.146071  0.855402  0.384220  1
  Sm  Sm41  1  0.624732  0.132193  0.356493  1
  Sm  Sm42  1  0.624732  0.798860  0.356493  1
  Sm  Sm43  1  0.906354  0.224623  0.398851  1
  Sm  Sm44  1  0.906354  0.891290  0.398851  1
  Sm  Sm45  1  0.387393  0.171103  0.369803  1
  Sm  Sm46  1  0.906354  0.557957  0.398851  1
  Sm  Sm47  1  0.387393  0.837770  0.369803  1
  Sm  Sm48  1  0.387393  0.504436  0.369803  1
  Sm  Sm49  1  0.811988  0.461675  0.439902  1
  Sm  Sm50  1  0.811988  0.128341  0.439902  1
  Sm  Sm51  1  0.292827  0.411272  0.411778  1
  Sm  Sm52  1  0.811988  0.795008  0.439902  1
  Sm  Sm53  1  0.292827  0.077939  0.411778  1
  Sm  Sm54  1  0.292827  0.744605  0.411778  1
  Sm  Sm55  1  0.071726  0.487967  0.453758  1
  Sm  Sm56  1  0.071726  0.154633  0.453758  1
  Sm  Sm57  1  0.549533  0.435329  0.426126  1
  Sm  Sm58  1  0.071726  0.821300  0.453758  1
  Sm  Sm59  1  0.549533  0.101995  0.426126  1
  Sm  Sm60  1  0.549533  0.768662  0.426126  1
  Sm  Sm61  1  0.192380  0.638505  0.447320  1
  Sm  Sm62  1  0.192380  0.305171  0.447320  1
  Sm  Sm63  1  0.668555  0.580568  0.418523  1
  Sm  Sm64  1  0.192380  0.971838  0.447320  1
  Sm  Sm65  1  0.668555  0.247234  0.418523  1
  Sm  Sm66  1  0.668555  0.913901  0.418523  1
  Sm  Sm67  1  0.952013  0.341041  0.461637  1
  Sm  Sm68  1  0.952013  0.007707  0.461637  1
  Sm  Sm69  1  0.430962  0.288338  0.433142  1
  Sm  Sm70  1  0.952013  0.674374  0.461637  1
  Sm  Sm71  1  0.430962  0.955005  0.433142  1
  Sm  Sm72  1  0.430962  0.621671  0.433142  1
  Sm  Sm73  1  0.855920  0.577478  0.501917  1
  Sm  Sm74  1  0.855920  0.244145  0.501917  1
  Sm  Sm75  1  0.335926  0.523850  0.473891  1
  Sm  Sm76  1  0.855920  0.910812  0.501917  1
  Sm  Sm77  1  0.335926  0.190517  0.473891  1
  Sm  Sm78  1  0.335926  0.857184  0.473891  1
  Sm  Sm79  1  0.115985  0.604592  0.515862  1
  Sm  Sm80  1  0.115985  0.271259  0.515862  1
  Sm  Sm81  1  0.595679  0.550609  0.487897  1
  Sm  Sm82  1  0.115985  0.937925  0.515862  1
  Sm  Sm83  1  0.595679  0.217275  0.487897  1
  Sm  Sm84  1  0.595679  0.883942  0.487897  1
  Sm  Sm85  1  0.236976  0.754070  0.510160  1
  Sm  Sm86  1  0.236976  0.420737  0.510160  1
  Sm  Sm87  1  0.715494  0.697191  0.479810  1
  Sm  Sm88  1  0.236976  0.087403  0.510160  1
  Sm  Sm89  1  0.715494  0.363857  0.479810  1
  Sm  Sm90  1  0.715494  0.030524  0.479810  1
  Sm  Sm91  1  0.996677  0.458555  0.523994  1
  Sm  Sm92  1  0.996677  0.125222  0.523994  1
  Sm  Sm93  1  0.476143  0.405150  0.495813  1
  Sm  Sm94  1  0.996677  0.791888  0.523994  1
  Sm  Sm95  1  0.476143  0.071817  0.495813  1
  Sm  Sm96  1  0.476143  0.738483  0.495813  1
  Sm  Sm97  1  0.900240  0.693638  0.563797  1
  Sm  Sm98  1  0.900240  0.360305  0.563797  1
  Sm  Sm99  1  0.380479  0.639906  0.536077  1
  Sm  Sm100  1  0.900240  0.026971  0.563797  1
  Sm  Sm101  1  0.380479  0.306572  0.536077  1
  Sm  Sm102  1  0.380479  0.973239  0.536077  1
  Sm  Sm103  1  0.161378  0.718551  0.577983  1
  Sm  Sm104  1  0.161378  0.385217  0.577983  1
  Sm  Sm105  1  0.640272  0.670232  0.549570  1
  Sm  Sm106  1  0.161378  0.051884  0.577983  1
  Sm  Sm107  1  0.640272  0.336899  0.549570  1
  Sm  Sm108  1  0.640272  0.003565  0.549570  1
  Sm  Sm109  1  0.281682  0.868275  0.572973  1
  Sm  Sm110  1  0.281682  0.534941  0.572973  1
  Sm  Sm111  1  0.760075  0.814659  0.542315  1
  Sm  Sm112  1  0.281682  0.201608  0.572973  1
  Sm  Sm113  1  0.760075  0.481326  0.542315  1
  Sm  Sm114  1  0.760075  0.147992  0.542315  1
  Sm  Sm115  1  0.042601  0.574116  0.585581  1
  Sm  Sm116  1  0.042601  0.240782  0.585581  1
  Sm  Sm117  1  0.519777  0.523630  0.558330  1
  Sm  Sm118  1  0.042601  0.907449  0.585581  1
  Sm  Sm119  1  0.519777  0.190297  0.558330  1
  Sm  Sm120  1  0.519777  0.856963  0.558330  1
  Sm  Sm121  1  0.947850  0.810185  0.624476  1
  Sm  Sm122  1  0.947850  0.476852  0.624476  1
  Sm  Sm123  1  0.423434  0.757417  0.599879  1
  Sm  Sm124  1  0.947850  0.143518  0.624476  1
  Sm  Sm125  1  0.423434  0.424083  0.599879  1
  Sm  Sm126  1  0.423434  0.090750  0.599879  1
  Sm  Sm127  1  0.201787  0.831786  0.640527  1
  Sm  Sm128  1  0.201787  0.498453  0.640527  1
  Sm  Sm129  1  0.687138  0.780999  0.611441  1
  Sm  Sm130  1  0.201787  0.165120  0.640527  1
  Sm  Sm131  1  0.687138  0.447666  0.611441  1
  Sm  Sm132  1  0.687138  0.114333  0.611441  1
  Sm  Sm133  1  0.322658  0.982695  0.635829  1
  Sm  Sm134  1  0.322658  0.649361  0.635829  1
  Sm  Sm135  1  0.805936  0.930534  0.605051  1
  Sm  Sm136  1  0.322658  0.316028  0.635829  1
  Sm  Sm137  1  0.805936  0.597201  0.605051  1
  Sm  Sm138  1  0.805936  0.263867  0.605051  1
  Sm  Sm139  1  0.084731  0.688956  0.648030  1
  Sm  Sm140  1  0.084731  0.355623  0.648030  1
  Sm  Sm141  1  0.569104  0.641544  0.618516  1
  Sm  Sm142  1  0.084731  0.022289  0.648030  1
  Sm  Sm143  1  0.569104  0.308211  0.618516  1
  Sm  Sm144  1  0.569104  0.974878  0.618516  1
  Sm  Sm145  1  0.986638  0.929599  0.690338  1
  Sm  Sm146  1  0.986638  0.596265  0.690338  1
  Sm  Sm147  1  0.475457  0.891002  0.660975  1
  Sm  Sm148  1  0.986638  0.262932  0.690338  1
  Sm  Sm149  1  0.475457  0.557669  0.660975  1
  Sm  Sm150  1  0.475457  0.224336  0.660975  1
  Sm  Sm151  1  0.244421  0.946264  0.702765  1
  Sm  Sm152  1  0.244421  0.612931  0.702765  1
  Sm  Sm153  1  0.728444  0.900087  0.673550  1
  Sm  Sm154  1  0.244421  0.279597  0.702765  1
  Sm  Sm155  1  0.728444  0.566753  0.673550  1
  Sm  Sm156  1  0.728444  0.233420  0.673550  1
  Sm  Sm157  1  0.370387  0.099016  0.697527  1
  Sm  Sm158  1  0.370387  0.765682  0.697527  1
  Sm  Sm159  1  0.851814  0.049591  0.667783  1
  Sm  Sm160  1  0.370387  0.432349  0.697527  1
  Sm  Sm161  1  0.851814  0.716257  0.667783  1
  Sm  Sm162  1  0.851814  0.382924  0.667783  1
  Sm  Sm163  1  0.122315  0.805430  0.712351  1
  Sm  Sm164  1  0.122315  0.472096  0.712351  1
  Sm  Sm165  1  0.606609  0.758172  0.683564  1
  Sm  Sm166  1  0.122315  0.138763  0.712351  1
  Sm  Sm167  1  0.606609  0.424838  0.683564  1
  Sm  Sm168  1  0.606609  0.091505  0.683564  1
