# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45770954
_cell_length_b   17.33308886
_cell_length_c   50.95615630
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.10828197
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm42
_cell_volume   3036.60589834
_cell_formula_units_Z   42
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  1.004671  0.934964  0.285677  1
  Sm  Sm2  1  0.684545  0.297869  0.241271  1
  Sm  Sm3  1  0.839548  0.609207  0.262098  1
  Sm  Sm4  1  0.594701  0.111958  0.262972  1
  Sm  Sm5  1  0.754198  0.433756  0.287304  1
  Sm  Sm6  1  0.434044  0.794162  0.242077  1
  Sm  Sm7  1  0.483502  0.894497  0.351840  1
  Sm  Sm8  1  0.163744  0.254310  0.307749  1
  Sm  Sm9  1  0.323564  0.575160  0.329752  1
  Sm  Sm10  1  0.073861  0.074293  0.330543  1
  Sm  Sm11  1  0.233213  0.394064  0.353431  1
  Sm  Sm12  1  0.913371  0.753276  0.308191  1
  Sm  Sm13  1  0.962562  0.854185  0.418419  1
  Sm  Sm14  1  0.642949  0.214350  0.374159  1
  Sm  Sm15  1  0.802808  0.534753  0.396364  1
  Sm  Sm16  1  0.552783  0.033620  0.397328  1
  Sm  Sm17  1  0.712484  0.353750  0.419771  1
  Sm  Sm18  1  0.392862  0.713845  0.375049  1
  Sm  Sm19  1  0.441759  0.813959  0.485072  1
  Sm  Sm20  1  0.122264  0.174158  0.440643  1
  Sm  Sm21  1  0.282072  0.494409  0.462948  1
  Sm  Sm22  1  1.031886  0.993247  0.463920  1
  Sm  Sm23  1  0.191694  0.313498  0.486225  1
  Sm  Sm24  1  0.872199  0.673698  0.441796  1
  Sm  Sm25  1  0.921096  0.773811  0.551819  1
  Sm  Sm26  1  0.601474  0.133906  0.507097  1
  Sm  Sm27  1  0.761175  0.454037  0.529540  1
  Sm  Sm28  1  0.511151  0.952904  0.530504  1
  Sm  Sm29  1  0.671009  0.273306  0.552709  1
  Sm  Sm30  1  0.351396  0.633471  0.508449  1
  Sm  Sm31  1  0.400588  0.734380  0.618677  1
  Sm  Sm32  1  0.080746  0.093593  0.573438  1
  Sm  Sm33  1  0.240098  0.413364  0.596325  1
  Sm  Sm34  1  0.990394  0.912497  0.597116  1
  Sm  Sm35  1  0.150215  0.233346  0.619119  1
  Sm  Sm36  1  0.830457  0.593159  0.575028  1
  Sm  Sm37  1  0.879914  0.693494  0.684791  1
  Sm  Sm38  1  0.559760  0.053900  0.639564  1
  Sm  Sm39  1  0.719258  0.375699  0.663896  1
  Sm  Sm40  1  0.474411  0.878449  0.664770  1
  Sm  Sm41  1  0.629413  0.189788  0.685597  1
  Sm  Sm42  1  0.309287  0.552692  0.641191  1
