# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27562408
_cell_length_b   3.27562408
_cell_length_c   60.87328069
_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   'Sm6 Al6'
_cell_volume   653.152839016
_cell_formula_units_Z   6
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  1.037486  1.037486  0.208684  1
  Sm  Sm2  1  1.037486  1.037486  0.279662  1
  Sm  Sm3  1  1.037486  1.037486  0.351225  1
  Sm  Sm4  1  1.037486  1.037486  0.422753  1
  Sm  Sm5  1  1.037486  1.037486  0.494295  1
  Sm  Sm6  1  1.037486  1.037486  0.565565  1
  Al  Al7  1  0.537486  0.537486  0.244173  1
  Al  Al8  1  0.537486  0.537486  0.315448  1
  Al  Al9  1  0.537486  0.537486  0.386989  1
  Al  Al10  1  0.537486  0.537486  0.458517  1
  Al  Al11  1  0.537486  0.537486  0.530063  1
  Al  Al12  1  0.537486  0.537486  0.601586  1
