data_[Ba18Pa3O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pa  1.5000  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.9949]
_cell_length_b [7.9949]
_cell_length_c [16.7258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ba6PaO8]
_chemical_formula_sum '[Ba18 Pa3 O24]'
_cell_volume [925.8474]
_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
[
  Ba  Ba0  18  0.0173  0.6051  0.9124  1
  Pa  Pa1  3  0.0000  0.0000  0.0000  1
  O  O2  18  0.0081  0.7781  0.0769  1
  O  O3  6  0.0000  0.0000  0.3152  1
]