data_[Np3In6Hg3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.1222]
_cell_length_b [8.1222]
_cell_length_c [22.5169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NpIn2HgBr6]
_chemical_formula_sum '[Np3 In6 Hg3 Br18]'
_cell_volume [1286.4303]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.9852  1
  In  In1  3  0.0000  0.0000  0.3283  1
  In  In2  3  0.0000  0.0000  0.8010  1
  Hg  Hg3  3  0.0000  0.0000  0.4890  1
  Br  Br4  9  0.0367  0.6180  0.5779  1
  Br  Br5  9  0.0629  0.3710  0.7207  1
]