# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.06607916
_cell_length_b   14.15691828
_cell_length_c   58.06138038
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm192
_cell_volume   16493.7194443
_cell_formula_units_Z   192
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  0.023310  0.987453  0.198305  1
  Sm  Sm2  1  0.187701  0.946828  0.222702  1
  Sm  Sm3  1  0.021034  0.446828  0.222702  1
  Sm  Sm4  1  0.356644  0.987453  0.198305  1
  Sm  Sm5  1  0.521034  0.946828  0.222702  1
  Sm  Sm6  1  0.189977  0.487453  0.198305  1
  Sm  Sm7  1  0.354367  0.446828  0.222702  1
  Sm  Sm8  1  0.689977  0.987453  0.198305  1
  Sm  Sm9  1  0.854367  0.946828  0.222702  1
  Sm  Sm10  1  0.523310  0.487453  0.198305  1
  Sm  Sm11  1  0.687701  0.446828  0.222702  1
  Sm  Sm12  1  0.856644  0.487453  0.198305  1
  Sm  Sm13  1  0.107031  0.669720  0.234851  1
  Sm  Sm14  1  0.274217  0.727570  0.208164  1
  Sm  Sm15  1  0.107550  0.227570  0.208164  1
  Sm  Sm16  1  0.440365  0.669720  0.234851  1
  Sm  Sm17  1  0.607550  0.727570  0.208164  1
  Sm  Sm18  1  0.273698  0.169720  0.234851  1
  Sm  Sm19  1  0.440884  0.227570  0.208164  1
  Sm  Sm20  1  0.773698  0.669720  0.234851  1
  Sm  Sm21  1  0.940884  0.727570  0.208164  1
  Sm  Sm22  1  0.607031  0.169720  0.234851  1
  Sm  Sm23  1  0.774217  0.227570  0.208164  1
  Sm  Sm24  1  0.940365  0.169720  0.234851  1
  Sm  Sm25  1  0.020034  0.876287  0.252823  1
  Sm  Sm26  1  0.188089  0.805857  0.277590  1
  Sm  Sm27  1  0.021423  0.305857  0.277590  1
  Sm  Sm28  1  0.353367  0.876287  0.252823  1
  Sm  Sm29  1  0.521423  0.805857  0.277590  1
  Sm  Sm30  1  0.186700  0.376287  0.252823  1
  Sm  Sm31  1  0.354756  0.305857  0.277590  1
  Sm  Sm32  1  0.686700  0.876287  0.252823  1
  Sm  Sm33  1  0.854756  0.805857  0.277590  1
  Sm  Sm34  1  0.520034  0.376287  0.252823  1
  Sm  Sm35  1  0.688089  0.305857  0.277590  1
  Sm  Sm36  1  0.853367  0.376287  0.252823  1
  Sm  Sm37  1  0.104023  0.524037  0.290811  1
  Sm  Sm38  1  0.271933  0.593350  0.263226  1
  Sm  Sm39  1  0.105267  0.093350  0.263226  1
  Sm  Sm40  1  0.437356  0.524037  0.290811  1
  Sm  Sm41  1  0.605267  0.593350  0.263226  1
  Sm  Sm42  1  0.270690  1.024037  0.290811  1
  Sm  Sm43  1  0.438600  0.093350  0.263226  1
  Sm  Sm44  1  0.770690  0.524037  0.290811  1
  Sm  Sm45  1  0.938600  0.593350  0.263226  1
  Sm  Sm46  1  0.604023  1.024037  0.290811  1
  Sm  Sm47  1  0.771933  0.093350  0.263226  1
  Sm  Sm48  1  0.937356  1.024037  0.290811  1
  Sm  Sm49  1  0.021042  0.734480  0.305619  1
  Sm  Sm50  1  0.187502  0.663264  0.333308  1
  Sm  Sm51  1  0.020835  0.163264  0.333308  1
  Sm  Sm52  1  0.354375  0.734480  0.305619  1
  Sm  Sm53  1  0.520835  0.663264  0.333308  1
  Sm  Sm54  1  0.187709  0.234480  0.305619  1
  Sm  Sm55  1  0.354168  0.163264  0.333308  1
  Sm  Sm56  1  0.687709  0.734480  0.305619  1
  Sm  Sm57  1  0.854168  0.663264  0.333308  1
  Sm  Sm58  1  0.521042  0.234480  0.305619  1
  Sm  Sm59  1  0.687502  0.163264  0.333308  1
  Sm  Sm60  1  0.854375  0.234480  0.305619  1
  Sm  Sm61  1  0.104265  0.378236  0.346694  1
  Sm  Sm62  1  0.271118  0.450380  0.318996  1
  Sm  Sm63  1  0.104452  0.950380  0.318996  1
  Sm  Sm64  1  0.437599  0.378236  0.346694  1
  Sm  Sm65  1  0.604452  0.450380  0.318996  1
  Sm  Sm66  1  0.270932  0.878236  0.346694  1
  Sm  Sm67  1  0.437785  0.950380  0.318996  1
  Sm  Sm68  1  0.770932  0.378236  0.346694  1
  Sm  Sm69  1  0.937785  0.450380  0.318996  1
  Sm  Sm70  1  0.604265  0.878236  0.346694  1
  Sm  Sm71  1  0.771118  0.950380  0.318996  1
  Sm  Sm72  1  0.937599  0.878236  0.346694  1
  Sm  Sm73  1  0.020699  0.591353  0.361130  1
  Sm  Sm74  1  0.187261  0.518985  0.388809  1
  Sm  Sm75  1  0.020595  1.018985  0.388809  1
  Sm  Sm76  1  0.354033  0.591353  0.361130  1
  Sm  Sm77  1  0.520595  0.518985  0.388809  1
  Sm  Sm78  1  0.187366  0.091353  0.361130  1
  Sm  Sm79  1  0.353928  1.018985  0.388809  1
  Sm  Sm80  1  0.687366  0.591353  0.361130  1
  Sm  Sm81  1  0.853928  0.518985  0.388809  1
  Sm  Sm82  1  0.520699  0.091353  0.361130  1
  Sm  Sm83  1  0.687261  1.018985  0.388809  1
  Sm  Sm84  1  0.854033  0.091353  0.361130  1
  Sm  Sm85  1  0.104164  0.233642  0.402517  1
  Sm  Sm86  1  0.270880  0.305853  0.374632  1
  Sm  Sm87  1  0.104214  0.805853  0.374632  1
  Sm  Sm88  1  0.437497  0.233642  0.402517  1
  Sm  Sm89  1  0.604214  0.305853  0.374632  1
  Sm  Sm90  1  0.270831  0.733642  0.402517  1
  Sm  Sm91  1  0.437547  0.805853  0.374632  1
  Sm  Sm92  1  0.770831  0.233642  0.402517  1
  Sm  Sm93  1  0.937547  0.305853  0.374632  1
  Sm  Sm94  1  0.604164  0.733642  0.402517  1
  Sm  Sm95  1  0.770880  0.805853  0.374632  1
  Sm  Sm96  1  0.937497  0.733642  0.402517  1
  Sm  Sm97  1  0.020587  0.446680  0.416647  1
  Sm  Sm98  1  0.187204  0.374469  0.444532  1
  Sm  Sm99  1  0.020537  0.874469  0.444532  1
  Sm  Sm100  1  0.353920  0.446680  0.416647  1
  Sm  Sm101  1  0.520537  0.374469  0.444532  1
  Sm  Sm102  1  0.187254  0.946680  0.416647  1
  Sm  Sm103  1  0.353871  0.874469  0.444532  1
  Sm  Sm104  1  0.687254  0.446680  0.416647  1
  Sm  Sm105  1  0.853871  0.374469  0.444532  1
  Sm  Sm106  1  0.520587  0.946680  0.416647  1
  Sm  Sm107  1  0.687204  0.874469  0.444532  1
  Sm  Sm108  1  0.853920  0.946680  0.416647  1
  Sm  Sm109  1  0.104052  0.088969  0.458034  1
  Sm  Sm110  1  0.270823  0.161337  0.430355  1
  Sm  Sm111  1  0.104156  0.661337  0.430355  1
  Sm  Sm112  1  0.437385  0.088969  0.458034  1
  Sm  Sm113  1  0.604156  0.161337  0.430355  1
  Sm  Sm114  1  0.270718  0.588969  0.458034  1
  Sm  Sm115  1  0.437490  0.661337  0.430355  1
  Sm  Sm116  1  0.770718  0.088969  0.458034  1
  Sm  Sm117  1  0.937490  0.161337  0.430355  1
  Sm  Sm118  1  0.604052  0.588969  0.458034  1
  Sm  Sm119  1  0.770823  0.661337  0.430355  1
  Sm  Sm120  1  0.937385  0.588969  0.458034  1
  Sm  Sm121  1  0.020486  0.302085  0.472469  1
  Sm  Sm122  1  0.186966  0.229942  0.500168  1
  Sm  Sm123  1  0.020299  0.729942  0.500168  1
  Sm  Sm124  1  0.353819  0.302085  0.472469  1
  Sm  Sm125  1  0.520299  0.229942  0.500168  1
  Sm  Sm126  1  0.187152  0.802085  0.472469  1
  Sm  Sm127  1  0.353633  0.729942  0.500168  1
  Sm  Sm128  1  0.687152  0.302085  0.472469  1
  Sm  Sm129  1  0.853633  0.229942  0.500168  1
  Sm  Sm130  1  0.520486  0.802085  0.472469  1
  Sm  Sm131  1  0.686966  0.729942  0.500168  1
  Sm  Sm132  1  0.853819  0.802085  0.472469  1
  Sm  Sm133  1  0.103709  0.945842  0.513544  1
  Sm  Sm134  1  0.270583  1.017058  0.485855  1
  Sm  Sm135  1  0.103916  0.517058  0.485855  1
  Sm  Sm136  1  0.437042  0.945842  0.513544  1
  Sm  Sm137  1  0.603916  1.017058  0.485855  1
  Sm  Sm138  1  0.270376  0.445842  0.513544  1
  Sm  Sm139  1  0.437249  0.517058  0.485855  1
  Sm  Sm140  1  0.770376  0.945842  0.513544  1
  Sm  Sm141  1  0.937249  1.017058  0.485855  1
  Sm  Sm142  1  0.603709  0.445842  0.513544  1
  Sm  Sm143  1  0.770583  0.517058  0.485855  1
  Sm  Sm144  1  0.937042  0.445842  0.513544  1
  Sm  Sm145  1  0.020728  0.156285  0.528352  1
  Sm  Sm146  1  0.186151  0.086972  0.555937  1
  Sm  Sm147  1  0.019484  0.586972  0.555937  1
  Sm  Sm148  1  0.354061  0.156285  0.528352  1
  Sm  Sm149  1  0.519484  0.086972  0.555937  1
  Sm  Sm150  1  0.187395  0.656285  0.528352  1
  Sm  Sm151  1  0.352818  0.586972  0.555937  1
  Sm  Sm152  1  0.687395  0.156285  0.528352  1
  Sm  Sm153  1  0.852818  0.086972  0.555937  1
  Sm  Sm154  1  0.520728  0.656285  0.528352  1
  Sm  Sm155  1  0.686151  0.586972  0.555937  1
  Sm  Sm156  1  0.854061  0.656285  0.528352  1
  Sm  Sm157  1  0.104717  0.804035  0.566341  1
  Sm  Sm158  1  0.269995  0.874465  0.541573  1
  Sm  Sm159  1  0.103328  0.374465  0.541573  1
  Sm  Sm160  1  0.438051  0.804035  0.566341  1
  Sm  Sm161  1  0.603328  0.874465  0.541573  1
  Sm  Sm162  1  0.271384  0.304035  0.566341  1
  Sm  Sm163  1  0.436662  0.374465  0.541573  1
  Sm  Sm164  1  0.771384  0.804035  0.566341  1
  Sm  Sm165  1  0.936662  0.874465  0.541573  1
  Sm  Sm166  1  0.604717  0.304035  0.566341  1
  Sm  Sm167  1  0.769995  0.374465  0.541573  1
  Sm  Sm168  1  0.938051  0.304035  0.566341  1
  Sm  Sm169  1  0.017720  1.010601  0.584313  1
  Sm  Sm170  1  0.183867  0.952752  0.611000  1
  Sm  Sm171  1  0.017201  0.452752  0.611000  1
  Sm  Sm172  1  0.351053  1.010601  0.584313  1
  Sm  Sm173  1  0.517201  0.952752  0.611000  1
  Sm  Sm174  1  0.184386  0.510601  0.584313  1
  Sm  Sm175  1  0.350534  0.452752  0.611000  1
  Sm  Sm176  1  0.684386  1.010601  0.584313  1
  Sm  Sm177  1  0.850534  0.952752  0.611000  1
  Sm  Sm178  1  0.517720  0.510601  0.584313  1
  Sm  Sm179  1  0.683867  0.452752  0.611000  1
  Sm  Sm180  1  0.851053  0.510601  0.584313  1
  Sm  Sm181  1  0.101441  0.692869  0.620858  1
  Sm  Sm182  1  0.270384  0.733494  0.596462  1
  Sm  Sm183  1  0.103717  0.233494  0.596462  1
  Sm  Sm184  1  0.434774  0.692869  0.620858  1
  Sm  Sm185  1  0.603717  0.733494  0.596462  1
  Sm  Sm186  1  0.268107  0.192869  0.620858  1
  Sm  Sm187  1  0.437050  0.233494  0.596462  1
  Sm  Sm188  1  0.768107  0.692869  0.620858  1
  Sm  Sm189  1  0.937050  0.733494  0.596462  1
  Sm  Sm190  1  0.601441  0.192869  0.620858  1
  Sm  Sm191  1  0.770384  0.233494  0.596462  1
  Sm  Sm192  1  0.934774  0.192869  0.620858  1
