data_[K3Np9Tl6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Np  1.3600  1.7500  1.0000
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0549]
_cell_length_b [8.0549]
_cell_length_c [17.7738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [KNp3Tl2O12]
_chemical_formula_sum '[K3 Np9 Tl6 O36]'
_cell_volume [998.6873]
_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
[
  K  K0  3  0.0000  0.0000  0.0000  1
  Np  Np1  9  0.0000  0.5000  0.5000  1
  Tl  Tl2  6  0.0000  0.0000  0.3800  1
  O  O3  18  0.0545  0.5272  0.3979  1
  O  O4  18  0.0830  0.5415  0.8144  1
]