data_[K1Np1Ir2O8]
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
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.6372]
_cell_length_b [5.6372]
_cell_length_c [7.9489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [KNp(IrO4)2]
_chemical_formula_sum '[K1 Np1 Ir2 O8]'
_cell_volume [218.7610]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Np  Np1  1  0.0000  0.0000  0.5000  1
  Ir  Ir2  2  0.3333  0.6667  0.7757  1
  O  O3  6  0.0970  0.3334  0.6620  1
  O  O4  2  0.3333  0.6667  0.9978  1
]