data_[Cs1Np2Tl1I8]
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
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [8.5382]
_cell_length_b [8.5382]
_cell_length_c [9.2788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [CsNp2TlI8]
_chemical_formula_sum '[Cs1 Np2 Tl1 I8]'
_cell_volume [585.8106]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1
  Np  Np1  2  0.3333  0.6667  0.9146  1
  Tl  Tl2  1  0.0000  0.0000  0.0000  1
  I  I3  6  0.0583  0.3866  0.1585  1
  I  I4  2  0.3333  0.6667  0.5881  1
]