data_[Rb1Np1Tl2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [P-1]
_cell_length_a [7.4212]
_cell_length_b [8.3435]
_cell_length_c [10.3404]
_cell_angle_alpha [90.1139]
_cell_angle_beta [90.7232]
_cell_angle_gamma [92.2444]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbNp(TlI4)2]
_chemical_formula_sum '[Rb1 Np1 Tl2 I8]'
_cell_volume [639.7231]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.5000  1
  Np  Np1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  2  0.4937  0.4997  0.2660  1
  I  I3  2  0.1932  0.7008  0.9943  1
  I  I4  2  0.2463  0.1359  0.8024  1
  I  I5  2  0.2533  0.1252  0.2026  1
  I  I6  2  0.2837  0.6631  0.5012  1
]