# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75554403
_cell_length_b   16.63192797
_cell_length_c   58.23027691
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm48 Al48'
_cell_volume   5574.13947671
_cell_formula_units_Z   48
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  0.250172  0.381347  0.305940  1
  Sm  Sm2  1  0.250172  0.130758  0.380165  1
  Sm  Sm3  1  0.250172  0.775308  0.388891  1
  Sm  Sm4  1  0.250172  0.032239  0.314827  1
  Sm  Sm5  1  0.250172  0.547256  0.402814  1
  Sm  Sm6  1  0.250172  0.804769  0.331531  1
  Sm  Sm7  1  0.250172  0.337142  0.373479  1
  Sm  Sm8  1  0.250172  0.585520  0.300639  1
  Sm  Sm9  1  0.750172  0.856070  0.413374  1
  Sm  Sm10  1  0.750172  0.111263  0.342638  1
  Sm  Sm11  1  0.750172  0.645807  0.382975  1
  Sm  Sm12  1  0.750172  0.902697  0.311662  1
  Sm  Sm13  1  0.750172  0.418370  0.396248  1
  Sm  Sm14  1  0.750172  0.669748  0.325550  1
  Sm  Sm15  1  0.750172  0.319039  0.336540  1
  Sm  Sm16  1  0.750172  0.058757  0.407059  1
  Sm  Sm17  1  0.250172  0.876639  0.450578  1
  Sm  Sm18  1  0.250172  0.621930  0.522198  1
  Sm  Sm19  1  0.250172  0.264869  0.532631  1
  Sm  Sm20  1  0.250172  0.520759  0.461042  1
  Sm  Sm21  1  0.250172  0.035829  0.546315  1
  Sm  Sm22  1  0.250172  0.291340  0.474721  1
  Sm  Sm23  1  0.250172  0.824621  0.515828  1
  Sm  Sm24  1  0.250172  0.079169  0.444498  1
  Sm  Sm25  1  0.750172  0.346815  0.556200  1
  Sm  Sm26  1  0.750172  0.601362  0.484870  1
  Sm  Sm27  1  0.750172  0.134644  0.525977  1
  Sm  Sm28  1  0.750172  0.390154  0.454384  1
  Sm  Sm29  1  0.750172  0.905225  0.539657  1
  Sm  Sm30  1  0.750172  0.161115  0.468067  1
  Sm  Sm31  1  0.750172  0.804054  0.478500  1
  Sm  Sm32  1  0.750172  0.549344  0.550120  1
  Sm  Sm33  1  0.250172  0.367226  0.593639  1
  Sm  Sm34  1  0.250172  0.106945  0.664158  1
  Sm  Sm35  1  0.250172  0.756236  0.675148  1
  Sm  Sm36  1  0.250172  0.007614  0.604450  1
  Sm  Sm37  1  0.250172  0.523287  0.689036  1
  Sm  Sm38  1  0.250172  0.780177  0.617723  1
  Sm  Sm39  1  0.250172  0.314721  0.658060  1
  Sm  Sm40  1  0.250172  0.569914  0.587324  1
  Sm  Sm41  1  0.750172  0.840464  0.700060  1
  Sm  Sm42  1  0.750172  0.088841  0.627219  1
  Sm  Sm43  1  0.750172  0.621214  0.669167  1
  Sm  Sm44  1  0.750172  0.878728  0.597884  1
  Sm  Sm45  1  0.750172  0.393745  0.685871  1
  Sm  Sm46  1  0.750172  0.650676  0.611807  1
  Sm  Sm47  1  0.750172  0.295226  0.620533  1
  Sm  Sm48  1  0.750172  0.044637  0.694758  1
  Al  Al49  1  0.505632  0.207085  0.296959  1
  Al  Al50  1  0.498649  0.951945  0.363110  1
  Al  Al51  1  0.499961  0.496597  0.349584  1
  Al  Al52  1  0.500056  0.241492  0.422573  1
  Al  Al53  1  0.250172  0.213722  0.334936  1
  Al  Al54  1  0.250172  0.958073  0.403548  1
  Al  Al55  1  0.250172  0.635945  0.353802  1
  Al  Al56  1  0.250172  0.381869  0.425947  1
  Al  Al57  1  0.994712  0.207085  0.296959  1
  Al  Al58  1  0.001695  0.951945  0.363110  1
  Al  Al59  1  0.000384  0.496597  0.349584  1
  Al  Al60  1  0.000289  0.241492  0.422573  1
  Al  Al61  1  0.750172  0.070172  0.289785  1
  Al  Al62  1  0.750172  0.812013  0.360451  1
  Al  Al63  1  0.750172  0.483557  0.308175  1
  Al  Al64  1  0.750172  0.232819  0.382590  1
  Al  Al65  1  0.499551  0.695677  0.435101  1
  Al  Al66  1  0.500146  0.440355  0.506697  1
  Al  Al67  1  0.500199  0.985629  0.494001  1
  Al  Al68  1  0.500794  0.730306  0.565597  1
  Al  Al69  1  0.250172  0.704364  0.475254  1
  Al  Al70  1  0.250172  0.449320  0.546736  1
  Al  Al71  1  0.250172  0.125609  0.497377  1
  Al  Al72  1  0.250172  0.869914  0.568780  1
  Al  Al73  1  0.000794  0.695677  0.435101  1
  Al  Al74  1  0.000199  0.440355  0.506697  1
  Al  Al75  1  1.000146  0.985629  0.494001  1
  Al  Al76  1  0.999551  0.730306  0.565597  1
  Al  Al77  1  0.750172  0.556069  0.431918  1
  Al  Al78  1  0.750172  0.300374  0.503321  1
  Al  Al79  1  0.750172  0.976664  0.453962  1
  Al  Al80  1  0.750172  0.721620  0.525444  1
  Al  Al81  1  0.500289  0.184492  0.578125  1
  Al  Al82  1  0.500384  0.929387  0.651115  1
  Al  Al83  1  0.501695  0.474039  0.637589  1
  Al  Al84  1  0.494712  0.218899  0.703739  1
  Al  Al85  1  0.250172  0.193165  0.618108  1
  Al  Al86  1  0.250172  0.942427  0.692523  1
  Al  Al87  1  0.250172  0.613971  0.640247  1
  Al  Al88  1  0.250172  0.355812  0.710913  1
  Al  Al89  1  1.000056  0.184492  0.578125  1
  Al  Al90  1  0.999961  0.929387  0.651115  1
  Al  Al91  1  0.998649  0.474039  0.637589  1
  Al  Al92  1  0.005632  0.218899  0.703739  1
  Al  Al93  1  0.750172  0.044115  0.574751  1
  Al  Al94  1  0.750172  0.790039  0.646896  1
  Al  Al95  1  0.750172  0.467911  0.597150  1
  Al  Al96  1  0.750172  0.212262  0.665763  1
