data_[Ca3Pr6Zr3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [R3]
_cell_length_a [5.9287]
_cell_length_b [5.9287]
_cell_length_c [15.1023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CaPr2ZrO6]
_chemical_formula_sum '[Ca3 Pr6 Zr3 O18]'
_cell_volume [459.7150]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.1918  1.0
  Pr  Pr1  3  0.0000  0.0000  0.4669  1.0
  Pr  Pr2  3  0.0000  0.0000  0.9668  1.0
  Zr  Zr3  3  0.0000  0.0000  0.6869  1.0
  O  O4  9  0.0552  0.3381  0.7514  1.0
  O  O5  9  0.0681  0.6875  0.2573  1.0
]