# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.75880207
_cell_length_b   12.37769294
_cell_length_c   45.92840222
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.34312670
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm88
_cell_volume   7050.51356165
_cell_formula_units_Z   88
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  0.635967  0.009113  0.309112  1
  Sm  Sm2  1  0.635967  0.509113  0.309112  1
  Sm  Sm3  1  0.136995  0.002404  0.308392  1
  Sm  Sm4  1  0.136995  0.502404  0.308392  1
  Sm  Sm5  1  0.432069  0.903531  0.282306  1
  Sm  Sm6  1  0.432069  0.403531  0.282306  1
  Sm  Sm7  1  0.916925  0.310759  0.296711  1
  Sm  Sm8  1  0.916925  0.810759  0.296711  1
  Sm  Sm9  1  0.586618  0.789574  0.350198  1
  Sm  Sm10  1  0.586618  0.289574  0.350198  1
  Sm  Sm11  1  0.091973  0.788566  0.352387  1
  Sm  Sm12  1  0.091973  0.288566  0.352387  1
  Sm  Sm13  1  0.361259  0.696052  0.320379  1
  Sm  Sm14  1  0.361259  0.196052  0.320379  1
  Sm  Sm15  1  0.853275  0.099347  0.336489  1
  Sm  Sm16  1  0.853275  0.599347  0.336489  1
  Sm  Sm17  1  0.541779  0.580275  0.389538  1
  Sm  Sm18  1  0.541779  0.080275  0.389538  1
  Sm  Sm19  1  0.040611  0.580450  0.389622  1
  Sm  Sm20  1  0.040611  0.080450  0.389622  1
  Sm  Sm21  1  0.326653  0.485466  0.362092  1
  Sm  Sm22  1  0.326653  0.985466  0.362092  1
  Sm  Sm23  1  0.804087  0.884472  0.377070  1
  Sm  Sm24  1  0.804087  0.384472  0.377070  1
  Sm  Sm25  1  0.495841  0.370216  0.429214  1
  Sm  Sm26  1  0.495841  0.870216  0.429214  1
  Sm  Sm27  1  0.994020  0.370812  0.429350  1
  Sm  Sm28  1  0.994020  0.870812  0.429350  1
  Sm  Sm29  1  0.280717  0.279450  0.400728  1
  Sm  Sm30  1  0.280717  0.779450  0.400728  1
  Sm  Sm31  1  0.759139  0.671617  0.417459  1
  Sm  Sm32  1  0.759139  0.171617  0.417459  1
  Sm  Sm33  1  0.448131  0.160218  0.468787  1
  Sm  Sm34  1  0.448131  0.660218  0.468787  1
  Sm  Sm35  1  0.947025  0.160524  0.468661  1
  Sm  Sm36  1  0.947025  0.660524  0.468661  1
  Sm  Sm37  1  0.230734  0.071765  0.440144  1
  Sm  Sm38  1  0.230734  0.571765  0.440144  1
  Sm  Sm39  1  0.711357  0.461181  0.457377  1
  Sm  Sm40  1  0.711357  0.961181  0.457377  1
  Sm  Sm41  1  0.399155  0.951755  0.508382  1
  Sm  Sm42  1  0.399155  0.451755  0.508382  1
  Sm  Sm43  1  0.899738  0.951254  0.508443  1
  Sm  Sm44  1  0.899738  0.451254  0.508443  1
  Sm  Sm45  1  0.184494  0.860858  0.479858  1
  Sm  Sm46  1  0.184494  0.360858  0.479858  1
  Sm  Sm47  1  0.663298  0.250951  0.497052  1
  Sm  Sm48  1  0.663298  0.750951  0.497052  1
  Sm  Sm49  1  0.354066  0.739824  0.548047  1
  Sm  Sm50  1  0.354066  0.239824  0.548047  1
  Sm  Sm51  1  0.852828  0.740097  0.547946  1
  Sm  Sm52  1  0.852828  0.240097  0.547946  1
  Sm  Sm53  1  0.135222  0.651859  0.519465  1
  Sm  Sm54  1  0.135222  0.151859  0.519465  1
  Sm  Sm55  1  0.616805  0.041231  0.537289  1
  Sm  Sm56  1  0.616805  0.541231  0.537289  1
  Sm  Sm57  1  0.299984  0.535806  0.587354  1
  Sm  Sm58  1  0.299984  0.035806  0.587354  1
  Sm  Sm59  1  0.802080  0.534512  0.587239  1
  Sm  Sm60  1  0.802080  0.034512  0.587239  1
  Sm  Sm61  1  0.090422  0.439457  0.559239  1
  Sm  Sm62  1  0.090422  0.939457  0.559239  1
  Sm  Sm63  1  0.564528  0.834586  0.575526  1
  Sm  Sm64  1  0.564528  0.334586  0.575526  1
  Sm  Sm65  1  0.267805  0.317595  0.627516  1
  Sm  Sm66  1  0.267805  0.817595  0.627516  1
  Sm  Sm67  1  0.756885  0.321086  0.625942  1
  Sm  Sm68  1  0.756885  0.821086  0.625942  1
  Sm  Sm69  1  0.041328  0.232519  0.599431  1
  Sm  Sm70  1  0.041328  0.732519  0.599431  1
  Sm  Sm71  1  0.530193  0.618825  0.618936  1
  Sm  Sm72  1  0.530193  0.118825  0.618936  1
  Sm  Sm73  1  0.214310  0.109104  0.667802  1
  Sm  Sm74  1  0.214310  0.609104  0.667802  1
  Sm  Sm75  1  0.746583  0.094386  0.673176  1
  Sm  Sm76  1  0.746583  0.594386  0.673176  1
  Sm  Sm77  1  0.998059  0.011560  0.636183  1
  Sm  Sm78  1  0.998059  0.511560  0.636183  1
  Sm  Sm79  1  0.477111  0.409982  0.652988  1
  Sm  Sm80  1  0.477111  0.909982  0.652988  1
  Sm  Sm81  1  0.105875  0.922321  0.704302  1
  Sm  Sm82  1  0.105875  0.422321  0.704302  1
  Sm  Sm83  1  0.649058  0.894764  0.706314  1
  Sm  Sm84  1  0.649058  0.394764  0.706314  1
  Sm  Sm85  1  0.939511  0.777112  0.683650  1
  Sm  Sm86  1  0.939511  0.277112  0.683650  1
  Sm  Sm87  1  0.425552  0.212395  0.697198  1
  Sm  Sm88  1  0.425552  0.712395  0.697198  1
