# generated using pymatgen
data_Pr3Th5(Si3Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19849161
_cell_length_b   8.24182218
_cell_length_c   8.54039686
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.82634499
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3Th5(Si3Ir)4
_chemical_formula_sum   'Pr3 Th5 Si12 Ir4'
_cell_volume   500.63727261
_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  0.50014160  0.00028257  0.25000000  1.0
  Pr  Pr1  1  0.99998257  0.99996619  0.75000000  1.0
  Pr  Pr2  1  0.99999443  0.99998897  0.25000000  1.0
  Th  Th3  1  0.49993871  0.50011161  0.75000000  1.0
  Th  Th4  1  0.50007967  0.49993311  0.25000000  1.0
  Th  Th5  1  0.00017288  0.50011157  0.75000000  1.0
  Th  Th6  1  0.99985249  0.49993266  0.25000000  1.0
  Th  Th7  1  0.49992494  0.99984956  0.75000000  1.0
  Si  Si8  1  0.83163170  0.16651008  0.99953370  1.0
  Si  Si9  1  0.16838265  0.83350921  0.99952917  1.0
  Si  Si10  1  0.33487758  0.16650760  0.99953360  1.0
  Si  Si11  1  0.16838265  0.83350921  0.50047083  1.0
  Si  Si12  1  0.66512692  0.83351142  0.99952910  1.0
  Si  Si13  1  0.83163170  0.16651008  0.50046630  1.0
  Si  Si14  1  0.83487393  0.66974341  0.00049101  1.0
  Si  Si15  1  0.66512692  0.83351142  0.50047090  1.0
  Si  Si16  1  0.16509640  0.33019769  0.00041266  1.0
  Si  Si17  1  0.33487758  0.16650760  0.50046640  1.0
  Si  Si18  1  0.16509640  0.33019769  0.49958734  1.0
  Si  Si19  1  0.83487393  0.66974341  0.49950899  1.0
  Ir  Ir20  1  0.66939376  0.33877751  0.99586488  1.0
  Ir  Ir21  1  0.33057291  0.66115597  0.99671600  1.0
  Ir  Ir22  1  0.33057291  0.66115597  0.50328400  1.0
  Ir  Ir23  1  0.66939376  0.33877751  0.50413512  1.0