data_[Pr8S8O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.6472]
_cell_length_b [7.2701]
_cell_length_c [7.1445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2S2O]
_chemical_formula_sum '[Pr8 S8 O4]'
_cell_volume [444.4111]
_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  0.1379  0.0561  0.2512  1.0
  Pr  Pr1  4  0.4184  0.6339  0.1872  1.0
  S  S2  4  0.0779  0.7251  0.0282  1.0
  S  S3  4  0.3248  0.1464  0.9377  1.0
  O  O4  4  0.3824  0.5883  0.8508  1.0
]