# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46221202
_cell_length_b   35.96819743
_cell_length_c   50.59849557
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.54656880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm84
_cell_volume   6300.80933732
_cell_formula_units_Z   84
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  0.555667  0.078356  0.286067  1
  Sm  Sm2  1  0.059959  0.416078  0.308142  1
  Sm  Sm3  1  0.054121  0.737452  0.265070  1
  Sm  Sm4  1  0.564238  0.236719  0.265205  1
  Sm  Sm5  1  0.059374  0.578275  0.286225  1
  Sm  Sm6  1  0.558497  0.916682  0.308136  1
  Sm  Sm7  1  0.058676  0.327055  0.284860  1
  Sm  Sm8  1  0.557082  0.666597  0.307831  1
  Sm  Sm9  1  0.556637  0.988363  0.263295  1
  Sm  Sm10  1  0.558806  0.166850  0.309542  1
  Sm  Sm11  1  0.559183  0.488613  0.265048  1
  Sm  Sm12  1  0.059705  0.827604  0.286572  1
  Sm  Sm13  1  0.057051  0.095444  0.353151  1
  Sm  Sm14  1  0.558496  0.434614  0.374844  1
  Sm  Sm15  1  0.557272  0.755965  0.331309  1
  Sm  Sm16  1  0.060088  0.255973  0.331312  1
  Sm  Sm17  1  0.558057  0.595363  0.352943  1
  Sm  Sm18  1  0.057315  0.934655  0.374952  1
  Sm  Sm19  1  0.558906  0.344887  0.351996  1
  Sm  Sm20  1  0.057176  0.684437  0.374431  1
  Sm  Sm21  1  0.056703  0.006164  0.329808  1
  Sm  Sm22  1  0.058427  0.184942  0.376417  1
  Sm  Sm23  1  0.058332  0.506318  0.331359  1
  Sm  Sm24  1  0.557349  0.845670  0.353679  1
  Sm  Sm25  1  0.556960  0.113462  0.419778  1
  Sm  Sm26  1  0.057719  0.452762  0.441683  1
  Sm  Sm27  1  0.056707  0.774254  0.397697  1
  Sm  Sm28  1  0.558647  0.274138  0.397704  1
  Sm  Sm29  1  0.057328  0.613409  0.419680  1
  Sm  Sm30  1  0.556495  0.952733  0.441762  1
  Sm  Sm31  1  0.058005  0.363218  0.418663  1
  Sm  Sm32  1  0.556568  0.702608  0.441085  1
  Sm  Sm33  1  0.556667  0.023773  0.396466  1
  Sm  Sm34  1  0.557676  0.203131  0.443058  1
  Sm  Sm35  1  0.557954  0.524253  0.398179  1
  Sm  Sm36  1  0.056757  0.863775  0.420554  1
  Sm  Sm37  1  0.056653  0.131559  0.486384  1
  Sm  Sm38  1  0.557043  0.470832  0.508432  1
  Sm  Sm39  1  0.556263  0.792286  0.464337  1
  Sm  Sm40  1  0.057649  0.292286  0.464307  1
  Sm  Sm41  1  0.556653  0.631559  0.486384  1
  Sm  Sm42  1  0.055656  0.970832  0.508462  1
  Sm  Sm43  1  0.557262  0.381299  0.485418  1
  Sm  Sm44  1  0.055979  0.720733  0.507807  1
  Sm  Sm45  1  0.056221  0.041859  0.463099  1
  Sm  Sm46  1  0.057085  0.221259  0.509670  1
  Sm  Sm47  1  0.057327  0.542384  0.464962  1
  Sm  Sm48  1  0.556043  0.881819  0.487351  1
  Sm  Sm49  1  0.556345  0.149656  0.552991  1
  Sm  Sm50  1  0.056599  0.488864  0.575071  1
  Sm  Sm51  1  0.055587  0.810355  0.531085  1
  Sm  Sm52  1  0.556811  0.310385  0.531007  1
  Sm  Sm53  1  0.055978  0.649708  0.553089  1
  Sm  Sm54  1  0.554659  0.988979  0.575065  1
  Sm  Sm55  1  0.056549  0.399343  0.552215  1
  Sm  Sm56  1  0.555351  0.738865  0.574590  1
  Sm  Sm57  1  0.555629  0.059987  0.529711  1
  Sm  Sm58  1  0.556639  0.239345  0.576303  1
  Sm  Sm59  1  0.556738  0.560510  0.531684  1
  Sm  Sm60  1  0.055301  0.899900  0.554106  1
  Sm  Sm61  1  0.056254  0.167674  0.619618  1
  Sm  Sm62  1  0.556034  0.507153  0.641460  1
  Sm  Sm63  1  0.554810  0.828504  0.597925  1
  Sm  Sm64  1  0.055991  0.328463  0.597817  1
  Sm  Sm65  1  0.555249  0.667755  0.619826  1
  Sm  Sm66  1  0.053218  0.007145  0.641457  1
  Sm  Sm67  1  0.555956  0.417448  0.619090  1
  Sm  Sm68  1  0.054974  0.756800  0.641410  1
  Sm  Sm69  1  0.054878  0.078176  0.596352  1
  Sm  Sm70  1  0.056603  0.256954  0.642961  1
  Sm  Sm71  1  0.056130  0.578681  0.598338  1
  Sm  Sm72  1  0.554400  0.918231  0.620773  1
  Sm  Sm73  1  0.557639  0.184762  0.686702  1
  Sm  Sm74  1  0.059185  0.525666  0.707699  1
  Sm  Sm75  1  0.053347  0.847040  0.664627  1
  Sm  Sm76  1  0.554809  0.346435  0.664633  1
  Sm  Sm77  1  0.053932  0.684843  0.686544  1
  Sm  Sm78  1  0.549068  0.026399  0.707564  1
  Sm  Sm79  1  0.053600  0.435514  0.686197  1
  Sm  Sm80  1  0.554123  0.774505  0.707721  1
  Sm  Sm81  1  0.554500  0.096268  0.663227  1
  Sm  Sm82  1  0.556668  0.274754  0.709474  1
  Sm  Sm83  1  0.556224  0.596520  0.664938  1
  Sm  Sm84  1  0.054630  0.936063  0.687909  1
