# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   35.69946137
_cell_length_b   3.83648309
_cell_length_c   49.31229950
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.14961521
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm84
_cell_volume   6745.47538835
_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  0.373731  0.051564  0.325744  1
  Sm  Sm2  1  0.706055  0.926105  0.304909  1
  Sm  Sm3  1  0.043754  0.838669  0.283231  1
  Sm  Sm4  1  0.539445  0.989792  0.315302  1
  Sm  Sm5  1  0.872746  0.859578  0.295347  1
  Sm  Sm6  1  0.206942  0.106154  0.335280  1
  Sm  Sm7  1  0.624430  0.508667  0.324908  1
  Sm  Sm8  1  0.958700  0.390081  0.304003  1
  Sm  Sm9  1  0.292238  0.632146  0.345407  1
  Sm  Sm10  1  0.454282  0.452167  0.301665  1
  Sm  Sm11  1  0.787318  0.323377  0.281266  1
  Sm  Sm12  1  0.122035  0.551834  0.323456  1
  Sm  Sm13  1  0.382712  0.460331  0.387786  1
  Sm  Sm14  1  0.713210  0.329601  0.367391  1
  Sm  Sm15  1  0.040755  0.193638  0.348467  1
  Sm  Sm16  1  0.546487  0.393227  0.377570  1
  Sm  Sm17  1  0.876032  0.271759  0.357263  1
  Sm  Sm18  1  0.215549  0.513081  0.397712  1
  Sm  Sm19  1  0.631629  0.943266  0.387026  1
  Sm  Sm20  1  0.960510  0.815097  0.367207  1
  Sm  Sm21  1  0.300903  0.069038  0.407423  1
  Sm  Sm22  1  0.462359  0.829790  0.365027  1
  Sm  Sm23  1  0.792939  0.702815  0.344570  1
  Sm  Sm24  1  0.131260  0.962211  0.386652  1
  Sm  Sm25  1  0.389079  0.856327  0.449817  1
  Sm  Sm26  1  0.719913  0.727567  0.429331  1
  Sm  Sm27  1  0.050973  0.598536  0.409289  1
  Sm  Sm28  1  0.554739  0.791122  0.439463  1
  Sm  Sm29  1  0.885517  0.659341  0.419341  1
  Sm  Sm30  1  0.223685  0.920123  0.459585  1
  Sm  Sm31  1  0.639213  0.345751  0.450085  1
  Sm  Sm32  1  0.970177  0.215967  0.429972  1
  Sm  Sm33  1  0.308353  0.474479  0.470422  1
  Sm  Sm34  1  0.469901  0.231654  0.428121  1
  Sm  Sm35  1  0.800674  0.102639  0.407813  1
  Sm  Sm36  1  0.138746  0.367645  0.449407  1
  Sm  Sm37  1  0.396991  0.257680  0.511984  1
  Sm  Sm38  1  0.727306  0.126580  0.491637  1
  Sm  Sm39  1  0.058048  0.994001  0.471707  1
  Sm  Sm40  1  0.562117  0.191721  0.501783  1
  Sm  Sm41  1  0.892589  0.062591  0.481490  1
  Sm  Sm42  1  0.231778  0.321677  0.521891  1
  Sm  Sm43  1  0.646652  0.747343  0.512771  1
  Sm  Sm44  1  0.977310  0.617164  0.492656  1
  Sm  Sm45  1  0.316400  0.878087  0.533013  1
  Sm  Sm46  1  0.477581  0.636262  0.490793  1
  Sm  Sm47  1  0.807990  0.506569  0.470553  1
  Sm  Sm48  1  0.146953  0.774009  0.511746  1
  Sm  Sm49  1  0.404386  0.656727  0.574286  1
  Sm  Sm50  1  0.735079  0.527506  0.553850  1
  Sm  Sm51  1  0.066222  0.401393  0.534085  1
  Sm  Sm52  1  0.569442  0.592373  0.564100  1
  Sm  Sm53  1  0.900438  0.460150  0.543833  1
  Sm  Sm54  1  0.239126  0.730717  0.583993  1
  Sm  Sm55  1  0.654219  0.151624  0.575461  1
  Sm  Sm56  1  0.985481  0.019597  0.555127  1
  Sm  Sm57  1  0.323716  0.282564  0.595847  1
  Sm  Sm58  1  0.485023  0.038094  0.553487  1
  Sm  Sm59  1  0.815811  0.907838  0.533153  1
  Sm  Sm60  1  0.153884  0.179268  0.574100  1
  Sm  Sm61  1  0.411123  0.055279  0.636231  1
  Sm  Sm62  1  0.741251  0.922838  0.615935  1
  Sm  Sm63  1  0.073034  0.804754  0.597294  1
  Sm  Sm64  1  0.577635  0.989887  0.625998  1
  Sm  Sm65  1  0.907724  0.861982  0.605620  1
  Sm  Sm66  1  0.248366  0.113501  0.646480  1
  Sm  Sm67  1  0.661633  0.553258  0.638606  1
  Sm  Sm68  1  0.992115  0.418234  0.617543  1
  Sm  Sm69  1  0.331389  0.682575  0.659106  1
  Sm  Sm70  1  0.492595  0.440655  0.616554  1
  Sm  Sm71  1  0.822868  0.310426  0.596175  1
  Sm  Sm72  1  0.164908  0.584380  0.635645  1
  Sm  Sm73  1  0.417984  0.458077  0.698797  1
  Sm  Sm74  1  0.749987  0.329249  0.678000  1
  Sm  Sm75  1  0.084752  0.251704  0.659422  1
  Sm  Sm76  1  0.584478  0.393529  0.688268  1
  Sm  Sm77  1  0.916513  0.261665  0.668057  1
  Sm  Sm78  1  0.251142  0.525524  0.708274  1
  Sm  Sm79  1  0.669515  0.930330  0.702034  1
  Sm  Sm80  1  0.002634  0.810298  0.680414  1
  Sm  Sm81  1  0.336632  0.061815  0.722424  1
  Sm  Sm82  1  0.499590  0.875002  0.678704  1
  Sm  Sm83  1  0.831332  0.744176  0.658244  1
  Sm  Sm84  1  0.165121  0.993589  0.699816  1
