# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45878059
_cell_length_b   26.67172054
_cell_length_c   50.57379263
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.98285584
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm63
_cell_volume   4654.24698559
_cell_formula_units_Z   63
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  0.930633  0.622030  0.293303  1
  Sm  Sm2  1  0.491429  0.741204  0.271058  1
  Sm  Sm3  1  0.547427  0.859508  0.247950  1
  Sm  Sm4  1  0.597300  0.955363  0.293303  1
  Sm  Sm5  1  0.158096  0.074538  0.271058  1
  Sm  Sm6  1  0.214094  0.192841  0.247950  1
  Sm  Sm7  1  0.263967  0.288697  0.293303  1
  Sm  Sm8  1  0.824762  0.407871  0.271058  1
  Sm  Sm9  1  0.880760  0.526175  0.247950  1
  Sm  Sm10  1  0.417731  0.597870  0.360164  1
  Sm  Sm11  1  0.978517  0.717913  0.338486  1
  Sm  Sm12  1  0.036057  0.835206  0.314962  1
  Sm  Sm13  1  0.084398  0.931203  0.360164  1
  Sm  Sm14  1  0.645184  0.051247  0.338486  1
  Sm  Sm15  1  0.702723  0.168540  0.314962  1
  Sm  Sm16  1  0.751065  0.264537  0.360164  1
  Sm  Sm17  1  0.311851  0.384580  0.338486  1
  Sm  Sm18  1  0.369390  0.501873  0.314962  1
  Sm  Sm19  1  0.904940  0.573205  0.427052  1
  Sm  Sm20  1  0.465814  0.693373  0.405535  1
  Sm  Sm21  1  0.523320  0.810822  0.381659  1
  Sm  Sm22  1  0.571607  0.906539  0.427052  1
  Sm  Sm23  1  0.132481  0.026706  0.405535  1
  Sm  Sm24  1  0.189986  0.144156  0.381659  1
  Sm  Sm25  1  0.238274  0.239872  0.427052  1
  Sm  Sm26  1  0.799148  0.360039  0.405535  1
  Sm  Sm27  1  0.856653  0.477489  0.381659  1
  Sm  Sm28  1  0.392157  0.548638  0.493906  1
  Sm  Sm29  1  0.953066  0.668805  0.472469  1
  Sm  Sm30  1  1.010647  0.786278  0.448513  1
  Sm  Sm31  1  0.058823  0.881971  0.493906  1
  Sm  Sm32  1  0.619732  0.002138  0.472469  1
  Sm  Sm33  1  0.677314  0.119611  0.448513  1
  Sm  Sm34  1  0.725490  0.215305  0.493906  1
  Sm  Sm35  1  0.286399  0.335472  0.472469  1
  Sm  Sm36  1  0.343980  0.452945  0.448513  1
  Sm  Sm37  1  0.879413  0.524139  0.560714  1
  Sm  Sm38  1  0.440405  0.644242  0.539400  1
  Sm  Sm39  1  0.497888  0.761695  0.515387  1
  Sm  Sm40  1  0.546080  0.857472  0.560714  1
  Sm  Sm41  1  0.107072  0.977575  0.539400  1
  Sm  Sm42  1  0.164555  0.095028  0.515387  1
  Sm  Sm43  1  0.212747  0.190806  0.560714  1
  Sm  Sm44  1  0.773738  0.310908  0.539400  1
  Sm  Sm45  1  0.831222  0.428361  0.515387  1
  Sm  Sm46  1  0.366572  0.499786  0.627223  1
  Sm  Sm47  1  0.927817  0.619696  0.606386  1
  Sm  Sm48  1  0.985087  0.737034  0.582294  1
  Sm  Sm49  1  1.033239  0.833119  0.627223  1
  Sm  Sm50  1  0.594484  0.953030  0.606386  1
  Sm  Sm51  1  0.651753  0.070368  0.582294  1
  Sm  Sm52  1  0.699905  0.166452  0.627223  1
  Sm  Sm53  1  0.261151  0.286363  0.606386  1
  Sm  Sm54  1  0.318420  0.403701  0.582294  1
  Sm  Sm55  1  0.852392  0.474354  0.693330  1
  Sm  Sm56  1  0.417008  0.596578  0.673962  1
  Sm  Sm57  1  0.472429  0.712652  0.649413  1
  Sm  Sm58  1  0.519058  0.807687  0.693330  1
  Sm  Sm59  1  0.083674  0.929912  0.673962  1
  Sm  Sm60  1  0.139096  0.045985  0.649413  1
  Sm  Sm61  1  0.185725  0.141021  0.693330  1
  Sm  Sm62  1  0.750341  0.263245  0.673962  1
  Sm  Sm63  1  0.805763  0.379319  0.649413  1
