# generated using pymatgen
data_Pr2SmThSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18375803
_cell_length_b   11.16222776
_cell_length_c   11.45833040
_cell_angle_alpha   90.61971055
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2SmThSe6
_chemical_formula_sum   'Pr4 Sm2 Th2 Se12'
_cell_volume   535.07341766
_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
  Pr  Pr0  1  0.25000000  0.00008213  0.69576343  1.0
  Pr  Pr1  1  0.75000000  0.99991787  0.30423657  1.0
  Pr  Pr2  1  0.75000000  0.49517247  0.80846197  1.0
  Pr  Pr3  1  0.25000000  0.50482753  0.19153803  1.0
  Sm  Sm4  1  0.75000000  0.81309978  0.98694228  1.0
  Sm  Sm5  1  0.25000000  0.18690022  0.01305772  1.0
  Th  Th6  1  0.25000000  0.31063392  0.51242669  1.0
  Th  Th7  1  0.75000000  0.68936608  0.48757331  1.0
  Se  Se8  1  0.75000000  0.05388869  0.88396684  1.0
  Se  Se9  1  0.25000000  0.94611131  0.11603316  1.0
  Se  Se10  1  0.25000000  0.55467310  0.61900002  1.0
  Se  Se11  1  0.75000000  0.44532690  0.38099998  1.0
  Se  Se12  1  0.25000000  0.87311892  0.45371827  1.0
  Se  Se13  1  0.75000000  0.12688108  0.54628173  1.0
  Se  Se14  1  0.75000000  0.36992468  0.04548306  1.0
  Se  Se15  1  0.25000000  0.63007532  0.95451694  1.0
  Se  Se16  1  0.25000000  0.29521106  0.77035013  1.0
  Se  Se17  1  0.75000000  0.70478894  0.22964987  1.0
  Se  Se18  1  0.75000000  0.79697131  0.72572494  1.0
  Se  Se19  1  0.25000000  0.20302869  0.27427506  1.0