# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.80816015
_cell_length_b   12.43841261
_cell_length_c   49.54806619
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   128.43256901
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm96
_cell_volume   7631.73771689
_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  0.384439  0.651640  0.276486  1
  Sm  Sm2  1  0.113680  0.320063  0.293135  1
  Sm  Sm3  1  0.833224  0.119968  0.312253  1
  Sm  Sm4  1  0.481812  0.261386  0.303048  1
  Sm  Sm5  1  0.188142  0.026536  0.313650  1
  Sm  Sm6  1  0.764685  0.515752  0.283431  1
  Sm  Sm7  1  0.350951  0.898654  0.295232  1
  Sm  Sm8  1  0.079561  0.607842  0.308852  1
  Sm  Sm9  1  0.628053  0.122600  0.276677  1
  Sm  Sm10  1  0.615923  0.652995  0.305528  1
  Sm  Sm11  1  0.336689  0.394352  0.329009  1
  Sm  Sm12  1  0.896696  0.901212  0.289028  1
  Sm  Sm13  1  0.559509  0.868242  0.331800  1
  Sm  Sm14  1  0.289583  0.624188  0.348606  1
  Sm  Sm15  1  0.029925  0.366115  0.366047  1
  Sm  Sm16  1  0.658599  0.495115  0.357856  1
  Sm  Sm17  1  0.390459  0.239242  0.376144  1
  Sm  Sm18  1  0.934882  0.740215  0.341401  1
  Sm  Sm19  1  0.552939  0.124598  0.351060  1
  Sm  Sm20  1  0.276433  0.878242  0.365281  1
  Sm  Sm21  1  0.811426  0.369951  0.333680  1
  Sm  Sm22  1  0.778022  0.867620  0.365125  1
  Sm  Sm23  1  0.512863  0.621139  0.384171  1
  Sm  Sm24  1  0.048807  0.117513  0.350653  1
  Sm  Sm25  1  0.764670  0.120783  0.386470  1
  Sm  Sm26  1  0.492084  0.869095  0.404173  1
  Sm  Sm27  1  0.225895  0.621629  0.422696  1
  Sm  Sm28  1  0.861198  0.748200  0.412843  1
  Sm  Sm29  1  0.591426  0.495110  0.431382  1
  Sm  Sm30  1  0.130005  0.991330  0.395258  1
  Sm  Sm31  1  0.746246  0.375650  0.405511  1
  Sm  Sm32  1  0.475445  0.122321  0.423228  1
  Sm  Sm33  1  0.015164  0.615991  0.387494  1
  Sm  Sm34  1  0.976468  0.118784  0.421757  1
  Sm  Sm35  1  0.707143  0.868691  0.439855  1
  Sm  Sm36  1  0.246060  0.372322  0.402794  1
  Sm  Sm37  1  0.958059  0.369428  0.441168  1
  Sm  Sm38  1  0.689352  0.120490  0.459590  1
  Sm  Sm39  1  0.421406  0.870800  0.477753  1
  Sm  Sm40  1  0.055412  0.993960  0.468764  1
  Sm  Sm41  1  0.787079  0.745063  0.487011  1
  Sm  Sm42  1  0.323882  0.245883  0.450557  1
  Sm  Sm43  1  0.940934  0.622552  0.460535  1
  Sm  Sm44  1  0.671698  0.371868  0.479025  1
  Sm  Sm45  1  0.209885  0.873331  0.442104  1
  Sm  Sm46  1  0.170372  0.368487  0.476615  1
  Sm  Sm47  1  0.901877  0.117889  0.495356  1
  Sm  Sm48  1  0.439646  0.618786  0.458316  1
  Sm  Sm49  1  0.153560  0.620917  0.496520  1
  Sm  Sm50  1  0.885415  0.370718  0.514912  1
  Sm  Sm51  1  0.617558  0.120564  0.533361  1
  Sm  Sm52  1  0.251291  0.245772  0.523885  1
  Sm  Sm53  1  0.982271  0.994785  0.542367  1
  Sm  Sm54  1  0.520328  0.495891  0.505730  1
  Sm  Sm55  1  0.135934  0.872336  0.516157  1
  Sm  Sm56  1  0.866743  0.621784  0.534531  1
  Sm  Sm57  1  0.404586  0.122723  0.497618  1
  Sm  Sm58  1  0.365867  0.617925  0.532086  1
  Sm  Sm59  1  0.096332  0.367710  0.550345  1
  Sm  Sm60  1  0.634419  0.868202  0.513915  1
  Sm  Sm61  1  0.349959  0.871430  0.551544  1
  Sm  Sm62  1  0.081326  0.621795  0.570206  1
  Sm  Sm63  1  0.813529  0.370636  0.588392  1
  Sm  Sm64  1  0.446666  0.494733  0.579365  1
  Sm  Sm65  1  0.178558  0.249325  0.596549  1
  Sm  Sm66  1  0.715383  0.744681  0.561529  1
  Sm  Sm67  1  0.329846  0.120479  0.571477  1
  Sm  Sm68  1  0.060925  0.870143  0.590081  1
  Sm  Sm69  1  0.598959  0.371727  0.553197  1
  Sm  Sm70  1  0.559571  0.867028  0.587879  1
  Sm  Sm71  1  0.290051  0.617431  0.605382  1
  Sm  Sm72  1  0.829730  0.116525  0.569567  1
  Sm  Sm73  1  0.546711  0.125929  0.607117  1
  Sm  Sm74  1  0.283105  0.872680  0.625778  1
  Sm  Sm75  1  0.018312  0.620725  0.642895  1
  Sm  Sm76  1  0.649280  0.750830  0.634278  1
  Sm  Sm77  1  0.375803  0.495976  0.650700  1
  Sm  Sm78  1  0.917370  0.999943  0.616837  1
  Sm  Sm79  1  0.522749  0.368860  0.627639  1
  Sm  Sm80  1  0.247424  0.110004  0.643840  1
  Sm  Sm81  1  0.793833  0.619305  0.609499  1
  Sm  Sm82  1  0.761246  0.122692  0.642685  1
  Sm  Sm83  1  0.494703  0.874543  0.659737  1
  Sm  Sm84  1  0.027225  0.365509  0.625558  1
  Sm  Sm85  1  0.749114  0.378567  0.662674  1
  Sm  Sm86  1  0.473094  0.130897  0.681170  1
  Sm  Sm87  1  0.190540  0.862638  0.698539  1
  Sm  Sm88  1  0.820471  0.976405  0.691210  1
  Sm  Sm89  1  0.526938  0.707604  0.710034  1
  Sm  Sm90  1  0.104007  0.232424  0.673746  1
  Sm  Sm91  1  0.671244  0.577730  0.687961  1
  Sm  Sm92  1  0.367679  0.304385  0.705146  1
  Sm  Sm93  1  0.965247  0.842493  0.667071  1
  Sm  Sm94  1  0.954522  0.370835  0.698860  1
  Sm  Sm95  1  0.666913  0.097076  0.715828  1
  Sm  Sm96  1  0.232964  0.615131  0.681241  1
