# generated using pymatgen
data_Pr7ThSe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.54874948
_cell_length_b   4.18376437
_cell_length_c   11.32570277
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.76050477
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr7ThSe12
_chemical_formula_sum   'Pr7 Th1 Se12'
_cell_volume   547.22199288
_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  0.48314853  0.25000000  0.18778306  1.0
  Pr  Pr1  1  0.99040515  0.25000000  0.31618803  1.0
  Pr  Pr2  1  0.51282395  0.75000000  0.81074585  1.0
  Pr  Pr3  1  0.01175756  0.75000000  0.68510548  1.0
  Pr  Pr4  1  0.69134877  0.75000000  0.48720185  1.0
  Pr  Pr5  1  0.19511909  0.75000000  0.99904319  1.0
  Pr  Pr6  1  0.30805205  0.25000000  0.50720004  1.0
  Th  Th7  1  0.80797142  0.25000000  0.00477089  1.0
  Se  Se8  1  0.54962533  0.25000000  0.62485298  1.0
  Se  Se9  1  0.04062638  0.25000000  0.87596055  1.0
  Se  Se10  1  0.45197287  0.75000000  0.37339803  1.0
  Se  Se11  1  0.95240460  0.75000000  0.12526420  1.0
  Se  Se12  1  0.62086152  0.75000000  0.05511610  1.0
  Se  Se13  1  0.12328163  0.75000000  0.44481048  1.0
  Se  Se14  1  0.38192055  0.25000000  0.94426628  1.0
  Se  Se15  1  0.87508217  0.25000000  0.55595677  1.0
  Se  Se16  1  0.73045511  0.25000000  0.29035119  1.0
  Se  Se17  1  0.22406935  0.25000000  0.19450092  1.0
  Se  Se18  1  0.27073835  0.75000000  0.70386942  1.0
  Se  Se19  1  0.77833562  0.75000000  0.81361568  1.0