# generated using pymatgen
data_Pr12Si3PI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88020981
_cell_length_b   10.85963168
_cell_length_c   10.85963252
_cell_angle_alpha   109.43280384
_cell_angle_beta   109.50960865
_cell_angle_gamma   109.50960938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr12Si3PI12
_chemical_formula_sum   'Pr12 Si3 P1 I12'
_cell_volume   987.27840603
_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  0.46335514  0.48440569  0.22986794  1.0
  Pr  Pr1  1  0.75000000  0.23304768  0.26695232  1.0
  Pr  Pr2  1  0.75000000  0.01617148  0.48382852  1.0
  Pr  Pr3  1  0.23382852  0.46765803  0.48382852  1.0
  Pr  Pr4  1  0.26651180  0.74546225  0.22986794  1.0
  Pr  Pr5  1  0.03664486  0.27013206  0.01559431  1.0
  Pr  Pr6  1  0.01695232  0.03390565  0.26695232  1.0
  Pr  Pr7  1  0.47894945  0.74546225  0.01559431  1.0
  Pr  Pr8  1  0.48304768  0.23304768  0.46609435  1.0
  Pr  Pr9  1  0.02105055  0.48440569  0.75453775  1.0
  Pr  Pr10  1  0.26617148  0.01617148  0.03234197  1.0
  Pr  Pr11  1  0.23348820  0.27013206  0.75453775  1.0
  Si  Si12  1  0.25000000  0.25080120  0.24919880  1.0
  Si  Si13  1  0.49919880  0.99839760  0.24919880  1.0
  Si  Si14  1  0.00080120  0.25080120  0.50160240  1.0
  P  P15  1  0.25000000  0.50000000  0.00000000  1.0
  I  I16  1  0.25000000  0.75747981  0.74252019  1.0
  I  I17  1  0.51531443  0.50759592  0.75830025  1.0
  I  I18  1  0.98468557  0.74169975  0.99240408  1.0
  I  I19  1  0.74298482  0.25070433  0.75830025  1.0
  I  I20  1  0.99252019  0.98504037  0.74252019  1.0
  I  I21  1  0.25000000  0.99238548  0.50761452  1.0
  I  I22  1  0.75761452  0.51522703  0.50761452  1.0
  I  I23  1  0.50772151  0.25070433  0.99240408  1.0
  I  I24  1  0.75701518  0.74169975  0.24929567  1.0
  I  I25  1  0.74238548  0.99238548  0.98477297  1.0
  I  I26  1  0.99227849  0.50759592  0.24929567  1.0
  I  I27  1  0.50747981  0.75747981  0.51495963  1.0