# generated using pymatgen
data_Pr3SiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88338603
_cell_length_b   10.88338680
_cell_length_c   10.88338628
_cell_angle_alpha   109.47121782
_cell_angle_beta   109.47121925
_cell_angle_gamma   109.47122320
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3SiI3
_chemical_formula_sum   'Pr12 Si4 I12'
_cell_volume   992.36230756
_cell_formula_units_Z   4
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  0.46721952  0.48361026  0.23361026  1.0
  Pr  Pr1  1  0.75000000  0.23361026  0.26638974  1.0
  Pr  Pr2  1  0.75000000  0.01638974  0.48361026  1.0
  Pr  Pr3  1  0.23361026  0.46721952  0.48361026  1.0
  Pr  Pr4  1  0.26638974  0.75000000  0.23361026  1.0
  Pr  Pr5  1  0.03278048  0.26638974  0.01638974  1.0
  Pr  Pr6  1  0.01638974  0.03278048  0.26638974  1.0
  Pr  Pr7  1  0.48361026  0.75000000  0.01638974  1.0
  Pr  Pr8  1  0.48361026  0.23361026  0.46721952  1.0
  Pr  Pr9  1  0.01638974  0.48361026  0.75000000  1.0
  Pr  Pr10  1  0.26638974  0.01638974  0.03278048  1.0
  Pr  Pr11  1  0.23361026  0.26638974  0.75000000  1.0
  Si  Si12  1  0.25000000  0.25000000  0.25000000  1.0
  Si  Si13  1  0.50000000  0.00000000  0.25000000  1.0
  Si  Si14  1  0.00000000  0.25000000  0.50000000  1.0
  Si  Si15  1  0.25000000  0.50000000  0.00000000  1.0
  I  I16  1  0.25000000  0.75765594  0.74234406  1.0
  I  I17  1  0.51531087  0.50765594  0.75765594  1.0
  I  I18  1  0.98468913  0.74234406  0.99234406  1.0
  I  I19  1  0.74234406  0.25000000  0.75765594  1.0
  I  I20  1  0.99234406  0.98468913  0.74234406  1.0
  I  I21  1  0.25000000  0.99234406  0.50765594  1.0
  I  I22  1  0.75765594  0.51531087  0.50765594  1.0
  I  I23  1  0.50765594  0.25000000  0.99234406  1.0
  I  I24  1  0.75765594  0.74234406  0.25000000  1.0
  I  I25  1  0.74234406  0.99234406  0.98468913  1.0
  I  I26  1  0.99234406  0.50765594  0.25000000  1.0
  I  I27  1  0.50765594  0.75765594  0.51531087  1.0