data_[Na2Np2Tl4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Np  1.3600  1.7500  1.0000
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1140]
_cell_length_b [8.8631]
_cell_length_c [14.2214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaNp(TlI3)2]
_chemical_formula_sum '[Na2 Np2 Tl4 I12]'
_cell_volume [854.9538]
_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
[
  Na  Na0  2  0.0000  0.0000  0.5000  1
  Np  Np1  2  0.5000  0.0000  0.0000  1
  Tl  Tl2  4  0.2039  0.5971  0.7431  1
  I  I3  4  0.1283  0.6853  0.4402  1
  I  I4  4  0.2659  0.1977  0.4392  1
  I  I5  4  0.3828  0.5374  0.2528  1
]