data_[Cs1Np1I2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Np  1.3600  1.7500  1.0000
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4160]
_cell_length_b [8.2077]
_cell_length_c [8.8755]
_cell_angle_alpha [74.2387]
_cell_angle_beta [73.4730]
_cell_angle_gamma [63.6336]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNp(IBr3)2]
_chemical_formula_sum '[Cs1 Np1 I2 Br6]'
_cell_volume [457.3513]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.0000  1
  Np  Np1  1  0.5000  0.0000  0.5000  1
  I  I2  2  0.3864  0.7886  0.0646  1
  Br  Br3  2  0.1475  0.2361  0.3905  1
  Br  Br4  2  0.2619  0.8537  0.7706  1
  Br  Br5  2  0.4639  0.2850  0.6505  1
]