data_[Sr3Pr6Hf3O18]
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
  Hf  1.3000  1.5500  0.8500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.9963]
_cell_length_b [5.9963]
_cell_length_c [15.4432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SrPr2HfO6]
_chemical_formula_sum '[Sr3 Pr6 Hf3 O18]'
_cell_volume [480.8730]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.8029  1.0
  Pr  Pr1  3  0.0000  0.0000  0.0274  1.0
  Pr  Pr2  3  0.0000  0.0000  0.5314  1.0
  Hf  Hf3  3  0.0000  0.0000  0.3158  1.0
  O  O4  9  0.0466  0.3401  0.9193  1.0
  O  O5  9  0.0684  0.6710  0.0754  1.0
]