# generated using pymatgen
data_SmThAlRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81266167
_cell_length_b   5.81266195
_cell_length_c   7.05405706
_cell_angle_alpha   87.43938673
_cell_angle_beta   92.56061523
_cell_angle_gamma   117.60681025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmThAlRu2
_chemical_formula_sum   'Sm2 Th2 Al2 Ru4'
_cell_volume   210.91255585
_cell_formula_units_Z   2
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  Sm0  1  0.34380771  0.65619229  0.08256554  1.0
  Sm  Sm1  1  0.65619229  0.34380771  0.91743446  1.0
  Th  Th2  1  0.16938017  0.83061983  0.59358736  1.0
  Th  Th3  1  0.83061983  0.16938017  0.40641264  1.0
  Al  Al4  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al5  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru6  1  0.86097142  0.64945579  0.26710914  1.0
  Ru  Ru7  1  0.64945579  0.86097142  0.73289086  1.0
  Ru  Ru8  1  0.13902858  0.35054421  0.73289086  1.0
  Ru  Ru9  1  0.35054421  0.13902858  0.26710914  1.0