data_[Cs3Np1Tl2Cl9]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.3554]
_cell_length_b [8.3554]
_cell_length_c [10.1551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3NpTl2Cl9]
_chemical_formula_sum '[Cs3 Np1 Tl2 Cl9]'
_cell_volume [613.9759]
_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  2  0.3333  0.6667  0.7413  1
  Cs  Cs1  1  0.0000  0.0000  0.0000  1
  Np  Np2  1  0.0000  0.0000  0.5000  1
  Tl  Tl3  2  0.3333  0.6667  0.1720  1
  Cl  Cl4  6  0.1456  0.2912  0.3477  1
  Cl  Cl5  3  0.0000  0.5000  0.0000  1
]