data_[Pr4S4Cl4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7694]
_cell_length_b [8.1462]
_cell_length_c [8.6866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PrSClO4]
_chemical_formula_sum '[Pr4 S4 Cl4 O16]'
_cell_volume [437.8697]
_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  0.3823  0.1920  0.7707  1
  S  S1  4  0.2229  0.5812  0.9321  1
  Cl  Cl2  4  0.2735  0.0368  0.0303  1
  O  O3  4  0.0051  0.6511  0.8709  1
  O  O4  4  0.2164  0.0930  0.3815  1
  O  O5  4  0.3262  0.5864  0.1237  1
  O  O6  4  0.3655  0.6831  0.8778  1
]