data_[Cs6Ba3Np9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Np  1.3600  1.7500  1.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1710]
_cell_length_b [8.1710]
_cell_length_c [18.3354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2BaNp3O12]
_chemical_formula_sum '[Cs6 Ba3 Np9 O36]'
_cell_volume [1060.1653]
_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  0.3891  1
  Ba  Ba1  3  0.0000  0.0000  0.0000  1
  Np  Np2  9  0.0000  0.5000  0.5000  1
  O  O3  18  0.0276  0.5138  0.3982  1
  O  O4  18  0.0863  0.5431  0.8196  1
]