data_[Sr6Pr18O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pr  1.1300  1.8500  1.0600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.2381]
_cell_length_b [10.2381]
_cell_length_c [12.0840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [SrPr3O6]
_chemical_formula_sum '[Sr6 Pr18 O36]'
_cell_volume [1096.9380]
_cell_formula_units_Z [6]
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
[
  Sr  Sr0  3  0.0000  0.0000  0.0000  1.0
  Sr  Sr1  3  0.0000  0.0000  0.5000  1.0
  Pr  Pr2  18  0.0383  0.7731  0.7117  1.0
  O  O3  18  0.0268  0.7959  0.9049  1.0
  O  O4  18  0.0281  0.8417  0.3609  1.0
]