data_[Np1Zn1Hg1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.4563]
_cell_length_b [7.4563]
_cell_length_c [9.4111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [NpZnHgI6]
_chemical_formula_sum '[Np1 Zn1 Hg1 I6]'
_cell_volume [453.1198]
_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  1  0.0000  0.0000  0.5000  1
  Zn  Zn1  1  0.3333  0.6667  0.5000  1
  Hg  Hg2  1  0.6667  0.3333  0.0000  1
  I  I3  6  0.0267  0.3458  0.6813  1
]