data_[Cs4Np4I14]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7335]
_cell_length_b [9.8000]
_cell_length_c [8.4489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Np2I7]
_chemical_formula_sum '[Cs4 Np4 I14]'
_cell_volume [1126.0292]
_cell_formula_units_Z [2]
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  4  0.0000  0.2240  0.5000  1
  Np  Np1  4  0.2413  0.0000  0.0337  1
  I  I2  8  0.2277  0.2811  0.2363  1
  I  I3  4  0.0495  0.5000  0.7890  1
  I  I4  2  0.0000  0.0000  0.0000  1
]