data_[Pr18Zr3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.3902]
_cell_length_b [10.3902]
_cell_length_c [9.8363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr6ZrO12]
_chemical_formula_sum '[Pr18 Zr3 O36]'
_cell_volume [919.6303]
_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  0.0553  0.7915  0.6544  1
  Zr  Zr1  3  0.0000  0.0000  0.0000  1
  O  O2  18  0.0408  0.8430  0.8934  1
  O  O3  18  0.0417  0.8167  0.4023  1
]