data_[Np2Tl1Hg1Cl8]
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
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.8115]
_cell_length_b [7.8115]
_cell_length_c [7.4074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Np2TlHgCl8]
_chemical_formula_sum '[Np2 Tl1 Hg1 Cl8]'
_cell_volume [391.4353]
_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
[
  Np  Np0  2  0.3333  0.6667  0.9277  1
  Tl  Tl1  1  0.0000  0.0000  0.5000  1
  Hg  Hg2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  6  0.0490  0.4058  0.1678  1
  Cl  Cl4  2  0.3333  0.6667  0.5818  1
]