# generated using pymatgen
data_TbPr6SI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88380993
_cell_length_b   9.88381039
_cell_length_c   9.88381016
_cell_angle_alpha   107.90628038
_cell_angle_beta   107.90627152
_cell_angle_gamma   107.90627601
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbPr6SI12
_chemical_formula_sum   'Tb1 Pr6 S1 I12'
_cell_volume   783.38707517
_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
  Tb  Tb0  1  0.50000000  0.50000000  0.50000000  1.0
  Pr  Pr1  1  0.10571378  0.30773955  0.03667735  1.0
  Pr  Pr2  1  0.03667735  0.10571378  0.30773955  1.0
  Pr  Pr3  1  0.30773955  0.03667735  0.10571378  1.0
  Pr  Pr4  1  0.89428622  0.69226045  0.96332265  1.0
  Pr  Pr5  1  0.96332265  0.89428622  0.69226045  1.0
  Pr  Pr6  1  0.69226045  0.96332265  0.89428622  1.0
  S  S7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.47787498  0.39668702  0.16219556  1.0
  I  I9  1  0.16219556  0.47787498  0.39668702  1.0
  I  I10  1  0.39668702  0.16219556  0.47787498  1.0
  I  I11  1  0.52212502  0.60331298  0.83780444  1.0
  I  I12  1  0.83780444  0.52212502  0.60331298  1.0
  I  I13  1  0.60331298  0.83780444  0.52212502  1.0
  I  I14  1  0.76890622  0.31368221  0.92335758  1.0
  I  I15  1  0.92335758  0.76890622  0.31368221  1.0
  I  I16  1  0.31368221  0.92335758  0.76890622  1.0
  I  I17  1  0.23109378  0.68631779  0.07664242  1.0
  I  I18  1  0.07664242  0.23109378  0.68631779  1.0
  I  I19  1  0.68631779  0.07664242  0.23109378  1.0