# generated using pymatgen
data_CeThSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.41687866
_cell_length_b   4.09829846
_cell_length_c   11.52444256
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeThSe3
_chemical_formula_sum   'Ce4 Th4 Se12'
_cell_volume   539.22608903
_cell_formula_units_Z   4
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
  Ce  Ce0  1  0.48150608  0.25000000  0.18376633  1.0
  Ce  Ce1  1  0.98150608  0.25000000  0.31623367  1.0
  Ce  Ce2  1  0.51849392  0.75000000  0.81623367  1.0
  Ce  Ce3  1  0.01849392  0.75000000  0.68376633  1.0
  Th  Th4  1  0.69383937  0.75000000  0.48907422  1.0
  Th  Th5  1  0.19383937  0.75000000  0.01092578  1.0
  Th  Th6  1  0.30616063  0.25000000  0.51092578  1.0
  Th  Th7  1  0.80616063  0.25000000  0.98907422  1.0
  Se  Se8  1  0.55258104  0.25000000  0.62232586  1.0
  Se  Se9  1  0.05258104  0.25000000  0.87767414  1.0
  Se  Se10  1  0.44741896  0.75000000  0.37767414  1.0
  Se  Se11  1  0.94741896  0.75000000  0.12232586  1.0
  Se  Se12  1  0.62564872  0.75000000  0.05581232  1.0
  Se  Se13  1  0.12564872  0.75000000  0.44418768  1.0
  Se  Se14  1  0.37435128  0.25000000  0.94418768  1.0
  Se  Se15  1  0.87435128  0.25000000  0.55581232  1.0
  Se  Se16  1  0.71802856  0.25000000  0.30227449  1.0
  Se  Se17  1  0.21802856  0.25000000  0.19772551  1.0
  Se  Se18  1  0.28197144  0.75000000  0.69772551  1.0
  Se  Se19  1  0.78197144  0.75000000  0.80227449  1.0