data_[Pr12Si8S32I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.0355]
_cell_length_b [7.9040]
_cell_length_c [10.9178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr3Si2S8I]
_chemical_formula_sum '[Pr12 Si8 S32 I4]'
_cell_volume [1370.0579]
_cell_formula_units_Z [4]
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  8  0.1988  0.1226  0.6814  1
  Pr  Pr1  4  0.0000  0.4018  0.2500  1
  Si  Si2  8  0.1597  0.4626  0.0293  1
  S  S3  8  0.0680  0.3465  0.5427  1
  S  S4  8  0.1450  0.2549  0.1475  1
  S  S5  8  0.1495  0.4005  0.8384  1
  S  S6  8  0.2182  0.0695  0.4142  1
  I  I7  4  0.0000  0.0135  0.7500  1
]