data_[Pr18S3O24]
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 [R-3]
_cell_length_a [6.8405]
_cell_length_b [6.8405]
_cell_length_c [19.2225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr6SO8]
_chemical_formula_sum '[Pr18 S3 O24]'
_cell_volume [778.9578]
_cell_formula_units_Z [3]
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  18  0.0062  0.3488  0.9130  1.0
  S  S1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0052  0.3438  0.7873  1.0
  O  O3  6  0.0000  0.0000  0.3281  1.0
]