# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.31019364
_cell_length_b   12.56680823
_cell_length_c   45.95087296
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   130.73787676
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm90
_cell_volume   7136.36289852
_cell_formula_units_Z   90
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  0.639014  0.318592  0.335194  1
  Sm  Sm2  1  0.315882  0.270592  0.344961  1
  Sm  Sm3  1  0.221011  0.731122  0.283855  1
  Sm  Sm4  1  0.991542  0.295793  0.335901  1
  Sm  Sm5  1  0.867573  0.739377  0.282654  1
  Sm  Sm6  1  0.932017  0.524045  0.310703  1
  Sm  Sm7  1  0.534371  0.791330  0.278407  1
  Sm  Sm8  1  0.578745  0.544070  0.306561  1
  Sm  Sm9  1  0.279743  0.513139  0.311668  1
  Sm  Sm10  1  0.829312  0.682278  0.355438  1
  Sm  Sm11  1  0.502868  0.680023  0.356508  1
  Sm  Sm12  1  0.383014  0.140596  0.291798  1
  Sm  Sm13  1  0.172973  0.640243  0.361184  1
  Sm  Sm14  1  0.089451  0.123117  0.297510  1
  Sm  Sm15  1  0.125082  0.881311  0.329554  1
  Sm  Sm16  1  0.741604  0.166527  0.292150  1
  Sm  Sm17  1  0.790897  0.929232  0.322020  1
  Sm  Sm18  1  0.453587  0.926694  0.325663  1
  Sm  Sm19  1  0.773389  0.577771  0.428734  1
  Sm  Sm20  1  0.448928  0.538914  0.433329  1
  Sm  Sm21  1  0.359650  0.027510  0.372976  1
  Sm  Sm22  1  0.114251  0.542414  0.433518  1
  Sm  Sm23  1  0.019835  0.032130  0.371422  1
  Sm  Sm24  1  0.065157  0.785607  0.402731  1
  Sm  Sm25  1  0.688770  0.072022  0.366597  1
  Sm  Sm26  1  0.727794  0.822334  0.398721  1
  Sm  Sm27  1  0.409850  0.788492  0.402929  1
  Sm  Sm28  1  0.965779  0.947659  0.443902  1
  Sm  Sm29  1  0.634484  0.944430  0.444725  1
  Sm  Sm30  1  0.541145  0.428934  0.385755  1
  Sm  Sm31  1  0.305922  0.904444  0.449734  1
  Sm  Sm32  1  0.216454  0.394901  0.388968  1
  Sm  Sm33  1  0.258802  0.147118  0.419817  1
  Sm  Sm34  1  0.878962  0.437419  0.383041  1
  Sm  Sm35  1  0.926309  0.197443  0.411577  1
  Sm  Sm36  1  0.587861  0.187519  0.413891  1
  Sm  Sm37  1  0.908352  0.846563  0.518683  1
  Sm  Sm38  1  0.587070  0.812760  0.523050  1
  Sm  Sm39  1  0.494255  0.295204  0.463444  1
  Sm  Sm40  1  0.248661  0.805268  0.523950  1
  Sm  Sm41  1  0.156976  0.295164  0.463308  1
  Sm  Sm42  1  0.201334  0.049177  0.493633  1
  Sm  Sm43  1  0.821265  0.337064  0.457933  1
  Sm  Sm44  1  0.866086  0.093450  0.488073  1
  Sm  Sm45  1  0.541786  0.055158  0.492750  1
  Sm  Sm46  1  0.104132  0.212945  0.535645  1
  Sm  Sm47  1  0.766853  0.212906  0.535509  1
  Sm  Sm48  1  0.674038  0.695349  0.475902  1
  Sm  Sm49  1  0.439843  0.171046  0.541019  1
  Sm  Sm50  1  0.352756  0.661546  0.480270  1
  Sm  Sm51  1  0.395022  0.414659  0.510879  1
  Sm  Sm52  1  0.012447  0.702841  0.475002  1
  Sm  Sm53  1  0.059774  0.458932  0.505319  1
  Sm  Sm54  1  0.719322  0.452951  0.506202  1
  Sm  Sm55  1  0.044654  0.113208  0.609985  1
  Sm  Sm56  1  0.719963  0.079175  0.613197  1
  Sm  Sm57  1  0.626624  0.563679  0.554228  1
  Sm  Sm58  1  0.382146  0.070690  0.615911  1
  Sm  Sm59  1  0.295329  0.560450  0.555050  1
  Sm  Sm60  1  0.334799  0.310666  0.587375  1
  Sm  Sm61  1  0.955186  0.603665  0.549218  1
  Sm  Sm62  1  1.002306  0.360991  0.579135  1
  Sm  Sm63  1  0.673247  0.320590  0.585061  1
  Sm  Sm64  1  0.241273  0.475979  0.627530  1
  Sm  Sm65  1  0.901458  0.480599  0.625976  1
  Sm  Sm66  1  0.812180  0.969195  0.565623  1
  Sm  Sm67  1  0.572338  0.436087  0.632355  1
  Sm  Sm68  1  0.487719  0.930338  0.570219  1
  Sm  Sm69  1  0.533314  0.685775  0.600231  1
  Sm  Sm70  1  0.146857  0.965696  0.565434  1
  Sm  Sm71  1  0.195951  0.722502  0.596221  1
  Sm  Sm72  1  0.851258  0.719617  0.596024  1
  Sm  Sm73  1  0.171657  0.384992  0.701443  1
  Sm  Sm74  1  0.878094  0.367513  0.707155  1
  Sm  Sm75  1  0.758240  0.828086  0.642445  1
  Sm  Sm76  1  0.519504  0.341582  0.706802  1
  Sm  Sm77  1  0.431796  0.825831  0.643514  1
  Sm  Sm78  1  0.470211  0.578877  0.676932  1
  Sm  Sm79  1  0.088135  0.867866  0.637768  1
  Sm  Sm80  1  0.136026  0.626798  0.669399  1
  Sm  Sm81  1  0.807521  0.581415  0.673290  1
  Sm  Sm82  1  0.393535  0.768732  0.716298  1
  Sm  Sm83  1  0.040097  0.776987  0.715097  1
  Sm  Sm84  1  0.945226  0.237517  0.653992  1
  Sm  Sm85  1  0.726737  0.716779  0.720545  1
  Sm  Sm86  1  0.622094  0.189517  0.663758  1
  Sm  Sm87  1  0.682363  0.964040  0.692391  1
  Sm  Sm88  1  0.269566  0.212316  0.663051  1
  Sm  Sm89  1  0.329091  0.984064  0.688249  1
  Sm  Sm90  1  0.981364  0.994970  0.687284  1
