data_[Pr8S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2552]
_cell_length_b [12.5266]
_cell_length_c [7.0850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2S3]
_chemical_formula_sum '[Pr8 S12]'
_cell_volume [606.8712]
_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  4  0.0000  0.3295  0.5000  1.0
  Pr  Pr1  2  0.0000  0.0000  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.0000  1.0
  S  S3  8  0.2479  0.3415  0.2656  1.0
  S  S4  4  0.2257  0.5000  0.7337  1.0
]