# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48334624
_cell_length_b   4.90589525
_cell_length_c   52.62108715
_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   'Sm9 Al9'
_cell_volume   899.238167126
_cell_formula_units_Z   9
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  1.005434  1.007525  0.264161  1
  Sm  Sm2  1  1.005434  0.507525  0.329569  1
  Sm  Sm3  1  1.005434  1.007525  0.371092  1
  Sm  Sm4  1  1.005434  0.507525  0.426503  1
  Sm  Sm5  1  1.005434  1.007525  0.473169  1
  Sm  Sm6  1  1.005434  0.507525  0.519835  1
  Sm  Sm7  1  1.005434  1.007525  0.575246  1
  Sm  Sm8  1  1.005434  0.507525  0.616768  1
  Sm  Sm9  1  1.005434  1.007525  0.682177  1
  Al  Al10  1  0.505434  0.507525  0.281679  1
  Al  Al11  1  0.505434  1.007525  0.314983  1
  Al  Al12  1  0.505434  0.507525  0.379776  1
  Al  Al13  1  0.505434  1.007525  0.421078  1
  Al  Al14  1  0.505434  0.507525  0.473169  1
  Al  Al15  1  0.505434  1.007525  0.525260  1
  Al  Al16  1  0.505434  0.507525  0.566562  1
  Al  Al17  1  0.505434  1.007525  0.631354  1
  Al  Al18  1  0.505434  0.507525  0.664658  1
