data_[Np2Tl4I8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9347]
_cell_length_b [8.4577]
_cell_length_c [7.5341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpTl2(I2Cl)2]
_chemical_formula_sum '[Np2 Tl4 I8 Cl4]'
_cell_volume [813.0357]
_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  0.5000  1
  Tl  Tl1  4  0.2277  0.5000  0.7140  1
  I  I2  8  0.0819  0.2516  0.3109  1
  Cl  Cl3  4  0.1766  0.0000  0.7975  1
]