data_[Pr4Se4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
  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 [9.5422]
_cell_length_b [7.4883]
_cell_length_c [6.9332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrSeO4F]
_chemical_formula_sum '[Pr4 Se4 O16 F4]'
_cell_volume [476.8223]
_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  0.2076  0.0000  0.1242  1
  Se  Se1  4  0.1502  0.5000  0.2764  1
  O  O2  8  0.1932  0.3274  0.1451  1
  O  O3  4  0.0248  0.5000  0.7370  1
  O  O4  4  0.2464  0.0000  0.4911  1
  F  F5  4  0.0224  0.0000  0.8258  1
]