# generated using pymatgen
data_Pr6SiPI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.82708873
_cell_length_b   10.82708902
_cell_length_c   10.81911583
_cell_angle_alpha   109.45956531
_cell_angle_beta   109.45956291
_cell_angle_gamma   109.52436278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6SiPI6
_chemical_formula_sum   'Pr12 Si2 P2 I12'
_cell_volume   975.96257385
_cell_formula_units_Z   2
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  0.46296237  0.48372143  0.23000100  1.0
  Pr  Pr1  1  0.75371942  0.23296136  0.26999900  1.0
  Pr  Pr2  1  0.75338403  0.01981289  0.48403441  1.0
  Pr  Pr3  1  0.23065037  0.46422152  0.48403441  1.0
  Pr  Pr4  1  0.26703864  0.74628058  0.23000100  1.0
  Pr  Pr5  1  0.03577848  0.26934963  0.01596559  1.0
  Pr  Pr6  1  0.01627857  0.03703763  0.26999900  1.0
  Pr  Pr7  1  0.48018711  0.74661597  0.01596559  1.0
  Pr  Pr8  1  0.48358976  0.23358976  0.46717952  1.0
  Pr  Pr9  1  0.01960000  0.48040000  0.75000000  1.0
  Pr  Pr10  1  0.26641024  0.01641024  0.03282048  1.0
  Pr  Pr11  1  0.23040000  0.26960000  0.75000000  1.0
  Si  Si12  1  0.24946468  0.25053532  0.25000000  1.0
  Si  Si13  1  0.50053532  0.99946468  0.25000000  1.0
  P  P14  1  0.00071211  0.25071211  0.50142223  1.0
  P  P15  1  0.24928789  0.49928789  0.99857777  1.0
  I  I16  1  0.24936834  0.75726861  0.74119348  1.0
  I  I17  1  0.51607413  0.50817487  0.75880652  1.0
  I  I18  1  0.98345184  0.74080436  0.99189743  1.0
  I  I19  1  0.74273139  0.25063166  0.75880652  1.0
  I  I20  1  0.99182513  0.98392587  0.74119348  1.0
  I  I21  1  0.24890692  0.99155240  0.50810257  1.0
  I  I22  1  0.75919564  0.51654816  0.50810257  1.0
  I  I23  1  0.50844760  0.25109308  0.99189743  1.0
  I  I24  1  0.75846062  0.74153938  0.25000000  1.0
  I  I25  1  0.74198749  0.99198749  0.98397698  1.0
  I  I26  1  0.99153938  0.50846062  0.25000000  1.0
  I  I27  1  0.50801251  0.75801251  0.51602302  1.0