# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.75837459
_cell_length_b   15.78328719
_cell_length_c   45.21937056
_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   Sm108
_cell_volume   8392.07319979
_cell_formula_units_Z   108
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  0.019291  0.790302  0.288464  1
  Sm  Sm2  1  0.997302  0.029778  0.318942  1
  Sm  Sm3  1  0.012196  0.413109  0.303395  1
  Sm  Sm4  1  0.492497  0.790302  0.288464  1
  Sm  Sm5  1  0.514486  0.029778  0.318942  1
  Sm  Sm6  1  0.499593  0.413109  0.303395  1
  Sm  Sm7  1  0.755894  0.638466  0.285255  1
  Sm  Sm8  1  0.755894  0.870537  0.317266  1
  Sm  Sm9  1  0.755894  0.254538  0.301976  1
  Sm  Sm10  1  0.255894  0.950469  0.291711  1
  Sm  Sm11  1  0.255894  0.190589  0.314951  1
  Sm  Sm12  1  0.255894  0.578474  0.301012  1
  Sm  Sm13  1  1.003163  0.628003  0.340066  1
  Sm  Sm14  1  0.008837  0.860059  0.370010  1
  Sm  Sm15  1  1.005455  0.243021  0.355817  1
  Sm  Sm16  1  0.508626  0.628003  0.340066  1
  Sm  Sm17  1  0.502951  0.860059  0.370010  1
  Sm  Sm18  1  0.506333  0.243021  0.355817  1
  Sm  Sm19  1  0.755894  0.475242  0.337353  1
  Sm  Sm20  1  0.755894  0.706543  0.367459  1
  Sm  Sm21  1  0.755894  0.090321  0.354893  1
  Sm  Sm22  1  0.255894  0.782332  0.341966  1
  Sm  Sm23  1  0.255894  0.016096  0.371282  1
  Sm  Sm24  1  0.255894  0.401128  0.355533  1
  Sm  Sm25  1  1.005640  0.464125  0.389479  1
  Sm  Sm26  1  0.006541  0.691000  0.420548  1
  Sm  Sm27  1  1.004551  0.075386  0.405940  1
  Sm  Sm28  1  0.506149  0.464125  0.389479  1
  Sm  Sm29  1  0.505247  0.691000  0.420548  1
  Sm  Sm30  1  0.507237  0.075386  0.405940  1
  Sm  Sm31  1  0.755894  0.314510  0.386037  1
  Sm  Sm32  1  0.755894  0.540182  0.417711  1
  Sm  Sm33  1  0.755894  0.923522  0.401524  1
  Sm  Sm34  1  0.255894  0.617580  0.391037  1
  Sm  Sm35  1  0.255894  0.843311  0.423251  1
  Sm  Sm36  1  0.255894  0.229778  0.406276  1
  Sm  Sm37  1  0.006952  0.299181  0.438055  1
  Sm  Sm38  1  0.006004  0.523582  0.470834  1
  Sm  Sm39  1  1.005312  0.910323  0.454720  1
  Sm  Sm40  1  0.504837  0.299181  0.438055  1
  Sm  Sm41  1  0.505785  0.523582  0.470834  1
  Sm  Sm42  1  0.506476  0.910323  0.454720  1
  Sm  Sm43  1  0.755894  0.149916  0.435114  1
  Sm  Sm44  1  0.755894  0.372546  0.468070  1
  Sm  Sm45  1  0.755894  0.759812  0.451595  1
  Sm  Sm46  1  0.255894  0.451699  0.440466  1
  Sm  Sm47  1  0.255894  0.674812  0.473585  1
  Sm  Sm48  1  0.255894  0.063130  0.456972  1
  Sm  Sm49  1  1.005602  0.133978  0.487747  1
  Sm  Sm50  1  0.006186  0.357256  0.520513  1
  Sm  Sm51  1  1.005894  0.745617  0.504130  1
  Sm  Sm52  1  0.506186  0.133978  0.487747  1
  Sm  Sm53  1  0.505602  0.357256  0.520513  1
  Sm  Sm54  1  0.505894  0.745617  0.504130  1
  Sm  Sm55  1  0.755894  0.983158  0.484513  1
  Sm  Sm56  1  0.755894  0.206043  0.518251  1
  Sm  Sm57  1  0.755894  0.594401  0.501312  1
  Sm  Sm58  1  0.255894  0.285191  0.490009  1
  Sm  Sm59  1  0.255894  0.508076  0.523747  1
  Sm  Sm60  1  0.255894  0.896833  0.506948  1
  Sm  Sm61  1  1.005785  0.967652  0.537426  1
  Sm  Sm62  1  1.004837  0.192053  0.570205  1
  Sm  Sm63  1  0.006476  0.580911  0.553540  1
  Sm  Sm64  1  0.506004  0.967652  0.537426  1
  Sm  Sm65  1  0.506952  0.192053  0.570205  1
  Sm  Sm66  1  0.505312  0.580911  0.553540  1
  Sm  Sm67  1  0.755894  0.816422  0.534675  1
  Sm  Sm68  1  0.755894  0.039535  0.567793  1
  Sm  Sm69  1  0.755894  0.428104  0.551287  1
  Sm  Sm70  1  0.255894  0.118688  0.540190  1
  Sm  Sm71  1  0.255894  0.341318  0.573145  1
  Sm  Sm72  1  0.255894  0.731422  0.556664  1
  Sm  Sm73  1  1.005247  0.800234  0.587712  1
  Sm  Sm74  1  0.006149  0.027109  0.618780  1
  Sm  Sm75  1  0.007237  0.415848  0.602320  1
  Sm  Sm76  1  0.506541  0.800234  0.587712  1
  Sm  Sm77  1  0.505640  0.027109  0.618780  1
  Sm  Sm78  1  0.504551  0.415848  0.602320  1
  Sm  Sm79  1  0.755894  0.647923  0.585009  1
  Sm  Sm80  1  0.755894  0.873654  0.617223  1
  Sm  Sm81  1  0.755894  0.261456  0.601984  1
  Sm  Sm82  1  0.255894  0.951052  0.590549  1
  Sm  Sm83  1  0.255894  0.176724  0.622223  1
  Sm  Sm84  1  0.255894  0.567712  0.606736  1
  Sm  Sm85  1  1.002951  0.631175  0.638250  1
  Sm  Sm86  1  0.008626  0.863231  0.668194  1
  Sm  Sm87  1  0.006333  0.248213  0.652443  1
  Sm  Sm88  1  0.508837  0.631175  0.638250  1
  Sm  Sm89  1  0.503163  0.863231  0.668194  1
  Sm  Sm90  1  0.505455  0.248213  0.652443  1
  Sm  Sm91  1  0.755894  0.475139  0.636977  1
  Sm  Sm92  1  0.755894  0.708902  0.666294  1
  Sm  Sm93  1  0.755894  0.090106  0.652727  1
  Sm  Sm94  1  0.255894  0.784692  0.640801  1
  Sm  Sm95  1  0.255894  0.015992  0.670907  1
  Sm  Sm96  1  0.255894  0.400913  0.653366  1
  Sm  Sm97  1  0.014486  0.461457  0.689318  1
  Sm  Sm98  1  0.992497  0.700932  0.719796  1
  Sm  Sm99  1  0.999593  0.078125  0.704865  1
  Sm  Sm100  1  0.497302  0.461457  0.689318  1
  Sm  Sm101  1  0.519291  0.700932  0.719796  1
  Sm  Sm102  1  0.512196  0.078125  0.704865  1
  Sm  Sm103  1  0.755894  0.300646  0.693309  1
  Sm  Sm104  1  0.755894  0.540765  0.716549  1
  Sm  Sm105  1  0.755894  0.912760  0.707248  1
  Sm  Sm106  1  0.255894  0.620697  0.690994  1
  Sm  Sm107  1  0.255894  0.852768  0.723005  1
  Sm  Sm108  1  0.255894  0.236696  0.706283  1
