# generated using pymatgen
data_Pr(ThSe2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17392300
_cell_length_b   11.68823282
_cell_length_c   11.68822573
_cell_angle_alpha   120.00005573
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr(ThSe2)6
_chemical_formula_sum   'Pr1 Th6 Se12'
_cell_volume   493.82408157
_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  0.75000000  0.99999900  0.99999900  1.0
  Th  Th1  1  0.75000000  0.72211379  0.56524286  1.0
  Th  Th2  1  0.75000000  0.43475714  0.15687193  1.0
  Th  Th3  1  0.75000000  0.84312707  0.27788621  1.0
  Th  Th4  1  0.25000000  0.28637619  0.44338916  1.0
  Th  Th5  1  0.25000000  0.55661084  0.84298403  1.0
  Th  Th6  1  0.25000000  0.15701697  0.71362481  1.0
  Se  Se7  1  0.75000000  0.00783939  0.75097939  1.0
  Se  Se8  1  0.75000000  0.24902061  0.25686000  1.0
  Se  Se9  1  0.75000000  0.74314000  0.99216061  1.0
  Se  Se10  1  0.25000000  0.99298968  0.21477794  1.0
  Se  Se11  1  0.25000000  0.78522206  0.77821374  1.0
  Se  Se12  1  0.25000000  0.22178626  0.00700832  1.0
  Se  Se13  1  0.75000000  0.37452690  0.86275922  1.0
  Se  Se14  1  0.75000000  0.13724178  0.51176967  1.0
  Se  Se15  1  0.75000000  0.48823033  0.62547210  1.0
  Se  Se16  1  0.25000000  0.61336001  0.13803513  1.0
  Se  Se17  1  0.25000000  0.86196387  0.47532589  1.0
  Se  Se18  1  0.25000000  0.52467511  0.38663999  1.0