data_[Pr18Se3O24]
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 [R-3]
_cell_length_a [6.8841]
_cell_length_b [6.8841]
_cell_length_c [19.5767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr6SeO8]
_chemical_formula_sum '[Pr18 Se3 O24]'
_cell_volume [803.4573]
_cell_formula_units_Z [3]
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  18  0.0087  0.6887  0.2445  1.0
  Se  Se1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0060  0.6586  0.7882  1.0
  O  O3  6  0.0000  0.0000  0.3192  1.0
]