# generated using pymatgen
data_YbPr6SI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.87967242
_cell_length_b   9.87967287
_cell_length_c   9.87967235
_cell_angle_alpha   107.18395691
_cell_angle_beta   107.18394865
_cell_angle_gamma   107.18394503
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbPr6SI12
_chemical_formula_sum   'Yb1 Pr6 S1 I12'
_cell_volume   799.04269887
_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
  Yb  Yb0  1  0.00000000  0.00000000  0.00000000  1.0
  Pr  Pr1  1  0.80436281  0.52816808  0.59934868  1.0
  Pr  Pr2  1  0.52816808  0.59934868  0.80436281  1.0
  Pr  Pr3  1  0.19563719  0.47183192  0.40065132  1.0
  Pr  Pr4  1  0.47183192  0.40065132  0.19563719  1.0
  Pr  Pr5  1  0.59934868  0.80436281  0.52816808  1.0
  Pr  Pr6  1  0.40065132  0.19563719  0.47183192  1.0
  S  S7  1  0.50000000  0.50000000  0.50000000  1.0
  I  I8  1  0.73156967  0.18197772  0.57494141  1.0
  I  I9  1  0.96567878  0.88660073  0.65755672  1.0
  I  I10  1  0.57494141  0.73156967  0.18197772  1.0
  I  I11  1  0.11339927  0.34244328  0.03432122  1.0
  I  I12  1  0.65755672  0.96567878  0.88660073  1.0
  I  I13  1  0.88660073  0.65755672  0.96567878  1.0
  I  I14  1  0.03432122  0.11339927  0.34244328  1.0
  I  I15  1  0.81802228  0.42505859  0.26843033  1.0
  I  I16  1  0.34244328  0.03432122  0.11339927  1.0
  I  I17  1  0.26843033  0.81802228  0.42505859  1.0
  I  I18  1  0.18197772  0.57494141  0.73156967  1.0
  I  I19  1  0.42505859  0.26843033  0.81802228  1.0