# generated using pymatgen
data_Sm(ThSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.34167104
_cell_length_b   4.06112745
_cell_length_c   11.44299576
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.62556636
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm(ThSe2)3
_chemical_formula_sum   'Sm2 Th6 Se12'
_cell_volume   527.03264522
_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  0.97775672  0.75000000  0.81262941  1.0
  Sm  Sm1  1  0.69066755  0.25000000  0.98793547  1.0
  Th  Th2  1  0.30060923  0.75000000  0.00638903  1.0
  Th  Th3  1  0.02219516  0.25000000  0.18349422  1.0
  Th  Th4  1  0.52264777  0.25000000  0.31500878  1.0
  Th  Th5  1  0.80640876  0.75000000  0.49134991  1.0
  Th  Th6  1  0.19931559  0.25000000  0.51964172  1.0
  Th  Th7  1  0.47894418  0.75000000  0.68550282  1.0
  Se  Se8  1  0.87685614  0.75000000  0.05159414  1.0
  Se  Se9  1  0.55004948  0.75000000  0.12269033  1.0
  Se  Se10  1  0.28409885  0.25000000  0.19775427  1.0
  Se  Se11  1  0.78515236  0.25000000  0.29968077  1.0
  Se  Se12  1  0.05523343  0.75000000  0.37726200  1.0
  Se  Se13  1  0.37714265  0.75000000  0.44328944  1.0
  Se  Se14  1  0.62331628  0.25000000  0.55514250  1.0
  Se  Se15  1  0.94957494  0.25000000  0.62456873  1.0
  Se  Se16  1  0.21835262  0.75000000  0.70751815  1.0
  Se  Se17  1  0.71846034  0.75000000  0.79826465  1.0
  Se  Se18  1  0.44600106  0.25000000  0.87657181  1.0
  Se  Se19  1  0.11721589  0.25000000  0.94371285  1.0