# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.81379935
_cell_length_b   10.40959576
_cell_length_c   47.86449628
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm72
_cell_volume   5886.22620772
_cell_formula_units_Z   72
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  1.003088  0.961002  0.333507  1
  Sm  Sm2  1  0.021073  0.306271  0.311006  1
  Sm  Sm3  1  1.002557  0.609427  0.356953  1
  Sm  Sm4  1  0.503954  0.961002  0.333507  1
  Sm  Sm5  1  0.485969  0.306271  0.311006  1
  Sm  Sm6  1  0.504484  0.609427  0.356953  1
  Sm  Sm7  1  0.753521  0.786172  0.361129  1
  Sm  Sm8  1  0.753521  0.142352  0.337080  1
  Sm  Sm9  1  0.753521  0.490450  0.313634  1
  Sm  Sm10  1  0.253521  0.093778  0.368279  1
  Sm  Sm11  1  0.253521  0.442117  0.350738  1
  Sm  Sm12  1  0.253521  0.784750  0.324294  1
  Sm  Sm13  1  0.005409  0.907714  0.404574  1
  Sm  Sm14  1  1.001450  0.258821  0.382753  1
  Sm  Sm15  1  0.004495  0.556079  0.428144  1
  Sm  Sm16  1  0.501633  0.907714  0.404574  1
  Sm  Sm17  1  0.505592  0.258821  0.382753  1
  Sm  Sm18  1  0.502547  0.556079  0.428144  1
  Sm  Sm19  1  0.753521  0.724357  0.433124  1
  Sm  Sm20  1  0.753521  0.074616  0.409323  1
  Sm  Sm21  1  0.753521  0.429268  0.385340  1
  Sm  Sm22  1  0.253521  0.039717  0.443935  1
  Sm  Sm23  1  0.253521  0.387953  0.421643  1
  Sm  Sm24  1  0.253521  0.742037  0.396695  1
  Sm  Sm25  1  0.004062  0.853492  0.475281  1
  Sm  Sm26  1  1.001392  0.204302  0.452883  1
  Sm  Sm27  1  1.003439  0.501986  0.499322  1
  Sm  Sm28  1  0.502980  0.853492  0.475281  1
  Sm  Sm29  1  0.505650  0.204302  0.452883  1
  Sm  Sm30  1  0.503602  0.501986  0.499322  1
  Sm  Sm31  1  0.753521  0.669527  0.505073  1
  Sm  Sm32  1  0.753521  0.019560  0.481679  1
  Sm  Sm33  1  0.753521  0.372758  0.457159  1
  Sm  Sm34  1  0.253521  0.983187  0.516390  1
  Sm  Sm35  1  0.253521  0.334202  0.492951  1
  Sm  Sm36  1  0.253521  0.686728  0.468705  1
  Sm  Sm37  1  1.003147  0.798875  0.546371  1
  Sm  Sm38  1  1.003195  0.149735  0.523528  1
  Sm  Sm39  1  0.003656  0.446835  0.570458  1
  Sm  Sm40  1  0.503895  0.798875  0.546371  1
  Sm  Sm41  1  0.503847  0.149735  0.523528  1
  Sm  Sm42  1  0.503386  0.446835  0.570458  1
  Sm  Sm43  1  0.753521  0.614491  0.576746  1
  Sm  Sm44  1  0.753521  0.965661  0.553635  1
  Sm  Sm45  1  0.753521  0.317438  0.528946  1
  Sm  Sm46  1  0.253521  0.928443  0.587473  1
  Sm  Sm47  1  0.253521  0.279092  0.564632  1
  Sm  Sm48  1  0.253521  0.631251  0.540439  1
  Sm  Sm49  1  1.001862  0.743671  0.617193  1
  Sm  Sm50  1  1.003294  0.094811  0.595160  1
  Sm  Sm51  1  0.003742  0.392905  0.641359  1
  Sm  Sm52  1  0.505180  0.743671  0.617193  1
  Sm  Sm53  1  0.503747  0.094811  0.595160  1
  Sm  Sm54  1  0.503300  0.392905  0.641359  1
  Sm  Sm55  1  0.753521  0.559313  0.648691  1
  Sm  Sm56  1  0.753521  0.912270  0.625838  1
  Sm  Sm57  1  0.753521  0.264061  0.600252  1
  Sm  Sm58  1  0.253521  0.867719  0.656621  1
  Sm  Sm59  1  0.253521  0.224175  0.636634  1
  Sm  Sm60  1  0.253521  0.575028  0.612156  1
  Sm  Sm61  1  1.003232  0.689489  0.688558  1
  Sm  Sm62  1  0.008944  0.035707  0.667911  1
  Sm  Sm63  1  1.001470  0.336620  0.711898  1
  Sm  Sm64  1  0.503809  0.689489  0.688558  1
  Sm  Sm65  1  0.498097  0.035707  0.667911  1
  Sm  Sm66  1  0.505572  0.336620  0.711898  1
  Sm  Sm67  1  0.753521  0.516632  0.720766  1
  Sm  Sm68  1  0.753521  0.866734  0.698285  1
  Sm  Sm69  1  0.753521  0.212910  0.672019  1
  Sm  Sm70  1  0.253521  0.823148  0.728566  1
  Sm  Sm71  1  0.253521  0.162828  0.708558  1
  Sm  Sm72  1  0.253521  0.515902  0.684323  1
