data_[Pr3Bi9O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.2773]
_cell_length_b [6.2773]
_cell_length_c [15.0614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Pr(BiO2)3]
_chemical_formula_sum '[Pr3 Bi9 O18]'
_cell_volume [513.9812]
_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  3  0.0000  0.0000  0.8669  1.0
  Bi  Bi1  3  0.0000  0.0000  0.1409  1.0
  Bi  Bi2  3  0.0000  0.0000  0.3587  1.0
  Bi  Bi3  3  0.0000  0.0000  0.6459  1.0
  O  O4  9  0.0079  0.7351  0.7453  1.0
  O  O5  9  0.0798  0.3917  0.9172  1.0
]