# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83201385
_cell_length_b   35.55195687
_cell_length_c   46.43116931
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.48656355
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm84
_cell_volume   6319.49237498
_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  0.543871  0.661515  0.292388  1
  Sm  Sm2  1  0.469656  0.297228  0.334392  1
  Sm  Sm3  1  0.533575  0.962111  0.317024  1
  Sm  Sm4  1  0.531994  0.475154  0.314578  1
  Sm  Sm5  1  0.517926  0.134633  0.323906  1
  Sm  Sm6  1  0.547782  0.782368  0.300635  1
  Sm  Sm7  1  -0.008440  0.385414  0.326336  1
  Sm  Sm8  1  0.082231  0.050311  0.302807  1
  Sm  Sm9  1  0.865220  0.714991  0.350337  1
  Sm  Sm10  1  0.051361  0.566906  0.302759  1
  Sm  Sm11  1  0.222347  0.220932  0.283432  1
  Sm  Sm12  1  0.005428  0.873576  0.324444  1
  Sm  Sm13  1  0.270278  0.629990  0.361364  1
  Sm  Sm14  1  0.037676  0.289674  0.402770  1
  Sm  Sm15  1  0.114580  0.960494  0.382845  1
  Sm  Sm16  1  0.147748  0.459479  0.382041  1
  Sm  Sm17  1  0.085797  0.123145  0.391400  1
  Sm  Sm18  1  0.219917  0.797074  0.372382  1
  Sm  Sm19  1  0.582024  0.374877  0.393189  1
  Sm  Sm20  1  0.686116  0.043120  0.368999  1
  Sm  Sm21  1  0.416986  0.707830  0.416433  1
  Sm  Sm22  1  0.709734  0.544575  0.371488  1
  Sm  Sm23  1  0.876731  0.212936  0.351938  1
  Sm  Sm24  1  0.585393  0.877248  0.393652  1
  Sm  Sm25  1  0.857127  0.624350  0.427159  1
  Sm  Sm26  1  0.625039  0.281251  0.469960  1
  Sm  Sm27  1  0.736231  0.951854  0.448992  1
  Sm  Sm28  1  0.739917  0.452743  0.448431  1
  Sm  Sm29  1  0.679512  0.116239  0.458783  1
  Sm  Sm30  1  0.802447  0.787927  0.437906  1
  Sm  Sm31  1  0.181884  0.367125  0.459424  1
  Sm  Sm32  1  0.295418  0.036153  0.435963  1
  Sm  Sm33  1  0.013915  0.700063  0.482420  1
  Sm  Sm34  1  0.295748  0.538439  0.437659  1
  Sm  Sm35  1  0.469058  0.204250  0.416060  1
  Sm  Sm36  1  0.182049  0.867790  0.460494  1
  Sm  Sm37  1  0.455353  0.615810  0.493632  1
  Sm  Sm38  1  0.218577  0.273346  0.536619  1
  Sm  Sm39  1  0.336965  0.944578  0.515126  1
  Sm  Sm40  1  0.336965  0.444578  0.515126  1
  Sm  Sm41  1  0.273843  0.108650  0.525521  1
  Sm  Sm42  1  0.400086  0.780507  0.504730  1
  Sm  Sm43  1  0.778238  0.359143  0.525882  1
  Sm  Sm44  1  0.893243  0.028638  0.502851  1
  Sm  Sm45  1  0.608330  0.692325  0.548386  1
  Sm  Sm46  1  0.895691  0.530013  0.504369  1
  Sm  Sm47  1  0.065599  0.196832  0.481865  1
  Sm  Sm48  1  0.780687  0.860518  0.527400  1
  Sm  Sm49  1  0.048891  0.607905  0.560291  1
  Sm  Sm50  1  0.816803  0.264807  0.603092  1
  Sm  Sm51  1  0.937699  0.937302  0.581259  1
  Sm  Sm52  1  0.934013  0.436413  0.581820  1
  Sm  Sm53  1  0.871483  0.101229  0.592345  1
  Sm  Sm54  1  -0.005582  0.772917  0.571468  1
  Sm  Sm55  1  0.378181  0.350718  0.592592  1
  Sm  Sm56  1  0.491881  0.021366  0.569757  1
  Sm  Sm57  1  0.204872  0.684906  0.614191  1
  Sm  Sm58  1  0.492045  0.522032  0.570827  1
  Sm  Sm59  1  0.660015  0.189093  0.547831  1
  Sm  Sm60  1  0.378512  0.853004  0.594288  1
  Sm  Sm61  1  0.636254  0.599482  0.627481  1
  Sm  Sm62  1  0.403652  0.259166  0.668887  1
  Sm  Sm63  1  0.559350  0.928662  0.647406  1
  Sm  Sm64  1  0.526181  0.429677  0.648210  1
  Sm  Sm65  1  0.454013  0.092082  0.657869  1
  Sm  Sm66  1  0.588132  0.766011  0.638851  1
  Sm  Sm67  1  0.964195  0.344581  0.658763  1
  Sm  Sm68  1  0.088537  0.011908  0.636599  1
  Sm  Sm69  1  0.797199  0.676221  0.678313  1
  Sm  Sm70  1  0.091906  0.514279  0.637062  1
  Sm  Sm71  1  0.256944  0.181326  0.613818  1
  Sm  Sm72  1  -0.012187  0.846036  0.661252  1
  Sm  Sm73  1  0.204274  0.591928  0.695859  1
  Sm  Sm74  1  0.130058  0.227642  0.737863  1
  Sm  Sm75  1  0.140355  0.927046  0.713228  1
  Sm  Sm76  1  0.141935  0.414002  0.715674  1
  Sm  Sm77  1  0.126147  0.106788  0.729616  1
  Sm  Sm78  1  0.156004  0.754524  0.706345  1
  Sm  Sm79  1  0.622568  0.322251  0.727492  1
  Sm  Sm80  1  0.668502  0.015580  0.705808  1
  Sm  Sm81  1  0.451583  0.668224  0.746819  1
  Sm  Sm82  1  0.682370  0.503742  0.703915  1
  Sm  Sm83  1  0.808710  0.174166  0.679915  1
  Sm  Sm84  1  0.591699  0.838845  0.727444  1
