data_[Cs6Zr3Pa9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  Pa  1.5000  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1511]
_cell_length_b [8.1511]
_cell_length_c [19.2613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2ZrPa3O12]
_chemical_formula_sum '[Cs6 Zr3 Pa9 O36]'
_cell_volume [1108.2779]
_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
[
  Cs  Cs0  6  0.0000  0.0000  0.3687  1
  Zr  Zr1  3  0.0000  0.0000  0.0000  1
  Pa  Pa2  9  0.0000  0.5000  0.5000  1
  O  O3  18  0.0826  0.5413  0.8574  1
  O  O4  18  0.0868  0.5434  0.6047  1
]