data_[Pr4S4O16F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3240]
_cell_length_b [7.2705]
_cell_length_c [6.6513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrSO4F]
_chemical_formula_sum '[Pr4 S4 O16 F4]'
_cell_volume [435.3896]
_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  0.2108  0.0000  0.1323  1.0
  S  S1  4  0.1472  0.5000  0.2702  1.0
  O  O2  8  0.1882  0.3367  0.1548  1.0
  O  O3  4  0.0123  0.5000  0.7454  1.0
  O  O4  4  0.2362  0.5000  0.4867  1.0
  F  F5  4  0.0244  0.0000  0.8194  1.0
]