# generated using pymatgen
data_Pr5Sm2ThSe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20092360
_cell_length_b   11.16729847
_cell_length_c   11.47851700
_cell_angle_alpha   90.29343047
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr5Sm2ThSe12
_chemical_formula_sum   'Pr5 Sm2 Th1 Se12'
_cell_volume   538.48423587
_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
  Pr  Pr0  1  0.25000000  0.00036402  0.69601184  1.0
  Pr  Pr1  1  0.75000000  0.00365919  0.30226811  1.0
  Pr  Pr2  1  0.75000000  0.49479901  0.80988038  1.0
  Pr  Pr3  1  0.25000000  0.50191253  0.19319024  1.0
  Pr  Pr4  1  0.25000000  0.31092706  0.51146409  1.0
  Sm  Sm5  1  0.75000000  0.81282486  0.98858789  1.0
  Sm  Sm6  1  0.25000000  0.18697335  0.01149719  1.0
  Th  Th7  1  0.75000000  0.68818899  0.48900911  1.0
  Se  Se8  1  0.75000000  0.05392036  0.88360848  1.0
  Se  Se9  1  0.25000000  0.94421716  0.11582831  1.0
  Se  Se10  1  0.25000000  0.55795387  0.62077455  1.0
  Se  Se11  1  0.75000000  0.44673545  0.38115979  1.0
  Se  Se12  1  0.25000000  0.87126950  0.45336355  1.0
  Se  Se13  1  0.75000000  0.12309299  0.54402797  1.0
  Se  Se14  1  0.75000000  0.37077356  0.04515950  1.0
  Se  Se15  1  0.25000000  0.63005223  0.95566952  1.0
  Se  Se16  1  0.25000000  0.29708533  0.77237252  1.0
  Se  Se17  1  0.75000000  0.70404321  0.23110427  1.0
  Se  Se18  1  0.75000000  0.79902630  0.72659583  1.0
  Se  Se19  1  0.25000000  0.20218002  0.26842884  1.0