# generated using pymatgen
data_Pr3Sm2(ThSe4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15776562
_cell_length_b   11.21995072
_cell_length_c   11.41292301
_cell_angle_alpha   91.05479814
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3Sm2(ThSe4)3
_chemical_formula_sum   'Pr3 Sm2 Th3 Se12'
_cell_volume   532.32178791
_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  0.99906022  0.69502434  1.0
  Pr  Pr1  1  0.75000000  0.00291031  0.30445905  1.0
  Pr  Pr2  1  0.75000000  0.49406988  0.80614301  1.0
  Sm  Sm3  1  0.75000000  0.81447727  0.98366315  1.0
  Sm  Sm4  1  0.25000000  0.18673134  0.01448057  1.0
  Th  Th5  1  0.25000000  0.50809246  0.19695805  1.0
  Th  Th6  1  0.25000000  0.31240040  0.51507203  1.0
  Th  Th7  1  0.75000000  0.68550299  0.48318141  1.0
  Se  Se8  1  0.75000000  0.05476758  0.88382570  1.0
  Se  Se9  1  0.25000000  0.94546441  0.11639275  1.0
  Se  Se10  1  0.25000000  0.55644697  0.61993523  1.0
  Se  Se11  1  0.75000000  0.44182166  0.37769842  1.0
  Se  Se12  1  0.25000000  0.87215081  0.45171278  1.0
  Se  Se13  1  0.75000000  0.12736678  0.54695074  1.0
  Se  Se14  1  0.75000000  0.37397590  0.05119805  1.0
  Se  Se15  1  0.25000000  0.62747543  0.95794806  1.0
  Se  Se16  1  0.25000000  0.29640389  0.77416689  1.0
  Se  Se17  1  0.75000000  0.70037389  0.22214677  1.0
  Se  Se18  1  0.75000000  0.79676516  0.72540097  1.0
  Se  Se19  1  0.25000000  0.20374164  0.27364104  1.0