# generated using pymatgen
data_Pr12Hg(IrI4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.03068588
_cell_length_b   11.03068658
_cell_length_c   11.03068560
_cell_angle_alpha   109.96406594
_cell_angle_beta   109.96406748
_cell_angle_gamma   109.96406746
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr12Hg(IrI4)3
_chemical_formula_sum   'Pr12 Hg1 Ir3 I12'
_cell_volume   1013.91211471
_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  0.46155054  0.49188638  0.22153319  1.0
  Pr  Pr1  1  0.75000000  0.22804018  0.27195982  1.0
  Pr  Pr2  1  0.75000000  0.01943392  0.48056608  1.0
  Pr  Pr3  1  0.22153319  0.46155054  0.49188638  1.0
  Pr  Pr4  1  0.27195982  0.75000000  0.22804018  1.0
  Pr  Pr5  1  0.03844946  0.27846681  0.00811362  1.0
  Pr  Pr6  1  0.00811362  0.03844946  0.27846681  1.0
  Pr  Pr7  1  0.48056608  0.75000000  0.01943392  1.0
  Pr  Pr8  1  0.49188638  0.22153319  0.46155054  1.0
  Pr  Pr9  1  0.01943392  0.48056608  0.75000000  1.0
  Pr  Pr10  1  0.27846681  0.00811362  0.03844946  1.0
  Pr  Pr11  1  0.22804018  0.27195982  0.75000000  1.0
  Hg  Hg12  1  0.25000000  0.25000000  0.25000000  1.0
  Ir  Ir13  1  0.50276980  0.99723020  0.25000000  1.0
  Ir  Ir14  1  0.99723020  0.25000000  0.50276980  1.0
  Ir  Ir15  1  0.25000000  0.50276980  0.99723020  1.0
  I  I16  1  0.25000000  0.76090932  0.73909068  1.0
  I  I17  1  0.51593905  0.50550548  0.75528105  1.0
  I  I18  1  0.98406095  0.74471895  0.99449452  1.0
  I  I19  1  0.73909068  0.25000000  0.76090932  1.0
  I  I20  1  0.99449452  0.98406095  0.74471895  1.0
  I  I21  1  0.25000000  0.99386006  0.50613994  1.0
  I  I22  1  0.75528105  0.51593905  0.50550548  1.0
  I  I23  1  0.50613994  0.25000000  0.99386006  1.0
  I  I24  1  0.76090932  0.73909068  0.25000000  1.0
  I  I25  1  0.74471895  0.99449452  0.98406095  1.0
  I  I26  1  0.99386006  0.50613994  0.25000000  1.0
  I  I27  1  0.50550548  0.75528105  0.51593905  1.0