data_[Np2Sb2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6131]
_cell_length_b [14.0619]
_cell_length_c [7.6102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpSbI6]
_chemical_formula_sum '[Np2 Sb2 I12]'
_cell_volume [775.9132]
_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
[
  Np  Np0  2  0.0000  0.0000  0.0000  1
  Sb  Sb1  2  0.0000  0.5000  0.5000  1
  I  I2  8  0.2429  0.3496  0.7470  1
  I  I3  4  0.2458  0.0000  0.7486  1
]