# generated using pymatgen
data_SmTh9(Sn3Se)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49013910
_cell_length_b   9.49891403
_cell_length_c   6.69650824
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.03059244
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTh9(Sn3Se)2
_chemical_formula_sum   'Sm1 Th9 Sn6 Se2'
_cell_volume   522.62672304
_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  1.00000000  0.73787661  0.75000000  1.0
  Th  Th1  1  0.26451711  0.26491677  0.75000000  1.0
  Th  Th2  1  0.33436893  0.66632088  0.49911568  1.0
  Th  Th3  1  0.66563107  0.33194994  0.49911568  1.0
  Th  Th4  1  0.73740507  0.73690698  0.25000000  1.0
  Th  Th5  1  0.73548289  0.00039965  0.75000000  1.0
  Th  Th6  1  0.00000000  0.26319178  0.25000000  1.0
  Th  Th7  1  0.26259493  0.99950191  0.25000000  1.0
  Th  Th8  1  0.33436893  0.66632088  0.00088432  1.0
  Th  Th9  1  0.66563107  0.33194994  0.00088432  1.0
  Sn  Sn10  1  0.61361148  0.61149384  0.75000000  1.0
  Sn  Sn11  1  1.00000000  0.39180102  0.75000000  1.0
  Sn  Sn12  1  0.38638852  0.99788237  0.75000000  1.0
  Sn  Sn13  1  0.61098816  0.99984125  0.25000000  1.0
  Sn  Sn14  1  0.38901184  0.38885308  0.25000000  1.0
  Sn  Sn15  1  0.00000000  0.61071671  0.25000000  1.0
  Se  Se16  1  0.00000000  0.00003820  0.99872487  1.0
  Se  Se17  1  0.00000000  0.00003820  0.50127513  1.0