data_[Pr4Se4Cl4O16]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2846]
_cell_length_b [7.4308]
_cell_length_c [6.8934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrSeClO4]
_chemical_formula_sum '[Pr4 Se4 Cl4 O16]'
_cell_volume [510.4586]
_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  0.2240  0.0000  0.1323  1.0
  Se  Se1  4  0.1373  0.5000  0.2664  1.0
  Cl  Cl2  4  0.0219  0.0000  0.7672  1.0
  O  O3  8  0.1865  0.3265  0.1406  1.0
  O  O4  4  0.0258  0.5000  0.7586  1.0
  O  O5  4  0.2217  0.5000  0.5027  1.0
]