data_[Pr8Se6O4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3686]
_cell_length_b [4.0600]
_cell_length_c [9.1741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4Se3O2]
_chemical_formula_sum '[Pr8 Se6 O4]'
_cell_volume [420.5808]
_cell_formula_units_Z [2]
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  0.1083  0.0000  0.3990  1
  Pr  Pr1  4  0.1834  0.5000  0.1050  1
  Se  Se2  4  0.1143  0.5000  0.7180  1
  Se  Se3  2  0.0000  0.0000  0.0000  1
  O  O4  4  0.1886  0.5000  0.3702  1
]