# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.90933898
_cell_length_b   6.83530440
_cell_length_c   48.06153582
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.63470112
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm96
_cell_volume   7854.42228787
_cell_formula_units_Z   96
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  0.103291  0.404188  0.321882  1
  Sm  Sm2  1  0.610911  0.397839  0.357800  1
  Sm  Sm3  1  0.603291  0.904188  0.321882  1
  Sm  Sm4  1  0.110911  0.897839  0.357800  1
  Sm  Sm5  1  0.360021  0.377827  0.304986  1
  Sm  Sm6  1  0.856774  0.388316  0.340794  1
  Sm  Sm7  1  0.860021  0.877827  0.304986  1
  Sm  Sm8  1  0.356774  0.888316  0.340794  1
  Sm  Sm9  1  0.481801  0.628617  0.329813  1
  Sm  Sm10  1  0.985469  0.633094  0.363379  1
  Sm  Sm11  1  0.981801  0.128617  0.329813  1
  Sm  Sm12  1  0.485469  0.133094  0.363379  1
  Sm  Sm13  1  0.234576  0.164374  0.346368  1
  Sm  Sm14  1  0.727721  0.162392  0.311610  1
  Sm  Sm15  1  0.734576  0.664374  0.346368  1
  Sm  Sm16  1  0.227721  0.662392  0.311610  1
  Sm  Sm17  1  0.118856  0.395548  0.393029  1
  Sm  Sm18  1  0.631448  0.396278  0.429110  1
  Sm  Sm19  1  0.618856  0.895548  0.393029  1
  Sm  Sm20  1  0.131448  0.896278  0.429110  1
  Sm  Sm21  1  0.362519  0.397388  0.377560  1
  Sm  Sm22  1  0.875871  0.396402  0.412054  1
  Sm  Sm23  1  0.862519  0.897388  0.377560  1
  Sm  Sm24  1  0.375871  0.896402  0.412054  1
  Sm  Sm25  1  0.497793  0.635601  0.401525  1
  Sm  Sm26  1  0.008867  0.637726  0.436655  1
  Sm  Sm27  1  0.997793  0.135601  0.401525  1
  Sm  Sm28  1  0.508867  0.137726  0.436655  1
  Sm  Sm29  1  0.252744  0.154598  0.419042  1
  Sm  Sm30  1  0.741426  0.158500  0.383587  1
  Sm  Sm31  1  0.752744  0.654598  0.419042  1
  Sm  Sm32  1  0.241426  0.658500  0.383587  1
  Sm  Sm33  1  0.142194  0.396987  0.463869  1
  Sm  Sm34  1  0.652641  0.396512  0.499649  1
  Sm  Sm35  1  0.642194  0.896987  0.463869  1
  Sm  Sm36  1  0.152641  0.896512  0.499649  1
  Sm  Sm37  1  0.387152  0.395245  0.447639  1
  Sm  Sm38  1  0.897988  0.395888  0.482809  1
  Sm  Sm39  1  0.887152  0.895245  0.447639  1
  Sm  Sm40  1  0.397988  0.895888  0.482809  1
  Sm  Sm41  1  0.519730  0.638053  0.472946  1
  Sm  Sm42  1  0.030317  0.638170  0.508648  1
  Sm  Sm43  1  0.019730  0.138053  0.472946  1
  Sm  Sm44  1  0.530317  0.138170  0.508648  1
  Sm  Sm45  1  0.274942  0.154087  0.490970  1
  Sm  Sm46  1  0.764643  0.154121  0.455159  1
  Sm  Sm47  1  0.774942  0.654087  0.490970  1
  Sm  Sm48  1  0.264643  0.654121  0.455159  1
  Sm  Sm49  1  0.162934  0.395597  0.535072  1
  Sm  Sm50  1  0.672595  0.395627  0.570667  1
  Sm  Sm51  1  0.662934  0.895597  0.535072  1
  Sm  Sm52  1  0.172595  0.895627  0.570667  1
  Sm  Sm53  1  0.407901  0.395940  0.518575  1
  Sm  Sm54  1  0.918197  0.396413  0.553983  1
  Sm  Sm55  1  0.907901  0.895940  0.518575  1
  Sm  Sm56  1  0.418197  0.896413  0.553983  1
  Sm  Sm57  1  0.540290  0.637813  0.544619  1
  Sm  Sm58  1  0.051047  0.637384  0.580016  1
  Sm  Sm59  1  0.040290  0.137813  0.544619  1
  Sm  Sm60  1  0.551047  0.137384  0.580016  1
  Sm  Sm61  1  0.296037  0.154680  0.562839  1
  Sm  Sm62  1  0.785430  0.154392  0.526775  1
  Sm  Sm63  1  0.796037  0.654680  0.562839  1
  Sm  Sm64  1  0.285430  0.654392  0.526775  1
  Sm  Sm65  1  0.184942  0.396119  0.606001  1
  Sm  Sm66  1  0.695984  0.399345  0.641129  1
  Sm  Sm67  1  0.684942  0.896119  0.606001  1
  Sm  Sm68  1  0.195984  0.899345  0.641129  1
  Sm  Sm69  1  0.428753  0.396162  0.590312  1
  Sm  Sm70  1  0.940188  0.394420  0.624657  1
  Sm  Sm71  1  0.928753  0.896162  0.590312  1
  Sm  Sm72  1  0.440188  0.894420  0.624657  1
  Sm  Sm73  1  0.562142  0.636928  0.616256  1
  Sm  Sm74  1  0.074943  0.632880  0.650459  1
  Sm  Sm75  1  0.062142  0.136928  0.616256  1
  Sm  Sm76  1  0.574943  0.132880  0.650459  1
  Sm  Sm77  1  0.318394  0.157542  0.634921  1
  Sm  Sm78  1  0.806420  0.156113  0.598067  1
  Sm  Sm79  1  0.818394  0.657542  0.634921  1
  Sm  Sm80  1  0.306420  0.656113  0.598067  1
  Sm  Sm81  1  0.203776  0.397034  0.677637  1
  Sm  Sm82  1  0.712232  0.392310  0.712405  1
  Sm  Sm83  1  0.703776  0.897034  0.677637  1
  Sm  Sm84  1  0.212232  0.892310  0.712405  1
  Sm  Sm85  1  0.454567  0.390924  0.663113  1
  Sm  Sm86  1  0.957778  0.393663  0.695568  1
  Sm  Sm87  1  0.954567  0.890924  0.663113  1
  Sm  Sm88  1  0.457778  0.893663  0.695568  1
  Sm  Sm89  1  0.582254  0.630587  0.688397  1
  Sm  Sm90  1  0.085431  0.635086  0.722872  1
  Sm  Sm91  1  0.082254  0.130587  0.688397  1
  Sm  Sm92  1  0.585431  0.135086  0.722872  1
  Sm  Sm93  1  0.336192  0.171410  0.706589  1
  Sm  Sm94  1  0.827306  0.161646  0.669858  1
  Sm  Sm95  1  0.836192  0.671410  0.706589  1
  Sm  Sm96  1  0.327306  0.661646  0.669858  1
