data_[Np1Se1I2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3356]
_cell_length_b [5.5524]
_cell_length_c [7.2546]
_cell_angle_alpha [82.9205]
_cell_angle_beta [88.0176]
_cell_angle_gamma [87.9978]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NpSe(IO3)2]
_chemical_formula_sum '[Np1 Se1 I2 O6]'
_cell_volume [213.0539]
_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
[
  Np  Np0  1  0.0000  0.0000  0.0000  1
  Se  Se1  1  0.5000  0.5000  0.0000  1
  I  I2  2  0.3528  0.6656  0.5790  1
  O  O3  2  0.1033  0.9970  0.7565  1
  O  O4  2  0.2485  0.2823  0.0397  1
  O  O5  2  0.2891  0.7379  0.0840  1
]