data_[Pr8S8Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1041]
_cell_length_b [8.1706]
_cell_length_c [16.4285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr4S4Cl3]
_chemical_formula_sum '[Pr8 S8 Cl6]'
_cell_volume [550.8984]
_cell_formula_units_Z [2]
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  0.2754  0.5000  1
  Pr  Pr1  4  0.0000  0.5000  0.2354  1
  S  S2  8  0.0000  0.2033  0.3338  1
  Cl  Cl3  4  0.0000  0.0000  0.0894  1
  Cl  Cl4  2  0.0000  0.5000  0.0000  1
]