# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34901032
_cell_length_b   12.87150545
_cell_length_c   51.14681643
_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   'Sm21 Al21'
_cell_volume   2204.77581857
_cell_formula_units_Z   21
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  1.025708  0.523178  0.276316  1
  Sm  Sm2  1  1.025708  0.277746  0.252183  1
  Sm  Sm3  1  1.025708  0.868177  0.254129  1
  Sm  Sm4  1  1.025708  0.397853  0.355327  1
  Sm  Sm5  1  1.025708  0.139118  0.307299  1
  Sm  Sm6  1  1.025708  0.770401  0.336081  1
  Sm  Sm7  1  1.025708  0.232427  0.406623  1
  Sm  Sm8  1  1.025708  -0.001098  0.362137  1
  Sm  Sm9  1  1.025708  0.618215  0.386191  1
  Sm  Sm10  1  1.025708  0.103771  0.467925  1
  Sm  Sm11  1  1.025708  0.867542  0.440589  1
  Sm  Sm12  1  1.025708  0.496916  0.459404  1
  Sm  Sm13  1  1.025708  0.902821  0.542147  1
  Sm  Sm14  1  1.025708  0.715242  0.492905  1
  Sm  Sm15  1  1.025708  0.314362  0.508252  1
  Sm  Sm16  1  1.025708  0.724140  0.598339  1
  Sm  Sm17  1  1.025708  0.501732  0.562943  1
  Sm  Sm18  1  1.025708  0.114032  0.577213  1
  Sm  Sm19  1  1.025708  0.499644  0.667073  1
  Sm  Sm20  1  1.025708  0.324673  0.613353  1
  Sm  Sm21  1  1.025708  0.914509  0.647972  1
  Al  Al22  1  0.525708  0.347786  0.305197  1
  Al  Al23  1  0.525708  0.070794  0.258848  1
  Al  Al24  1  0.525708  0.719129  0.287826  1
  Al  Al25  1  0.525708  0.199219  0.355638  1
  Al  Al26  1  0.525708  0.934379  0.305425  1
  Al  Al27  1  0.525708  0.567131  0.328358  1
  Al  Al28  1  0.525708  0.034945  0.413417  1
  Al  Al29  1  0.525708  0.823437  0.390073  1
  Al  Al30  1  0.525708  0.439038  0.409965  1
  Al  Al31  1  0.525708  0.923120  0.491268  1
  Al  Al32  1  0.525708  0.670968  0.435683  1
  Al  Al33  1  0.525708  0.299089  0.454970  1
  Al  Al34  1  0.525708  0.697490  0.545713  1
  Al  Al35  1  0.525708  0.521873  0.511835  1
  Al  Al36  1  0.525708  0.109976  0.523150  1
  Al  Al37  1  0.525708  0.529784  0.615449  1
  Al  Al38  1  0.525708  0.300478  0.559114  1
  Al  Al39  1  0.525708  0.925869  0.595596  1
  Al  Al40  1  0.525708  0.285034  0.664349  1
  Al  Al41  1  0.525708  0.115997  0.630035  1
  Al  Al42  1  0.525708  0.700204  0.650604  1
