# generated using pymatgen
data_SmTh2(SnRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53331881
_cell_length_b   7.53331984
_cell_length_c   4.16965194
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.58411606
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTh2(SnRu)3
_chemical_formula_sum   'Sm1 Th2 Sn3 Ru3'
_cell_volume   199.38611068
_cell_formula_units_Z   1
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  0.41118353  0.41118353  0.00000000  1.0
  Th  Th1  1  0.58593244  0.99856994  0.00000000  1.0
  Th  Th2  1  0.99856994  0.58593244  0.00000000  1.0
  Sn  Sn3  1  0.24847677  0.01464571  0.50000000  1.0
  Sn  Sn4  1  0.01464571  0.24847677  0.50000000  1.0
  Sn  Sn5  1  0.73844894  0.73844894  0.50000000  1.0
  Ru  Ru6  1  0.32732555  0.69179457  0.50000000  1.0
  Ru  Ru7  1  0.69179457  0.32732555  0.50000000  1.0
  Ru  Ru8  1  0.98362355  0.98362355  0.00000000  1.0