# generated using pymatgen
data_Pr3ThSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.53394541
_cell_length_b   4.15697658
_cell_length_c   11.32666714
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3ThSe6
_chemical_formula_sum   'Pr6 Th2 Se12'
_cell_volume   543.07224487
_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  0.48489453  0.25000000  0.18573140  1.0
  Pr  Pr1  1  0.98489453  0.25000000  0.31426860  1.0
  Pr  Pr2  1  0.51390384  0.75000000  0.81355176  1.0
  Pr  Pr3  1  0.01390384  0.75000000  0.68644824  1.0
  Pr  Pr4  1  0.69382927  0.75000000  0.49164189  1.0
  Pr  Pr5  1  0.19382927  0.75000000  0.00835811  1.0
  Th  Th6  1  0.30839084  0.25000000  0.49846947  1.0
  Th  Th7  1  0.80839084  0.25000000  0.00153053  1.0
  Se  Se8  1  0.54414765  0.25000000  0.62303980  1.0
  Se  Se9  1  0.04414765  0.25000000  0.87696020  1.0
  Se  Se10  1  0.45048677  0.75000000  0.37472824  1.0
  Se  Se11  1  0.95048677  0.75000000  0.12527176  1.0
  Se  Se12  1  0.62340876  0.75000000  0.05476249  1.0
  Se  Se13  1  0.12340876  0.75000000  0.44523751  1.0
  Se  Se14  1  0.37737759  0.25000000  0.94404179  1.0
  Se  Se15  1  0.87737759  0.25000000  0.55595821  1.0
  Se  Se16  1  0.72662374  0.25000000  0.29436429  1.0
  Se  Se17  1  0.22662374  0.25000000  0.20563571  1.0
  Se  Se18  1  0.27693600  0.75000000  0.69271480  1.0
  Se  Se19  1  0.77693600  0.75000000  0.80728520  1.0