data_[Np2Hg2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6013]
_cell_length_b [3.9176]
_cell_length_c [7.0844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpHgS4]
_chemical_formula_sum '[Np2 Hg2 S8]'
_cell_volume [336.3679]
_cell_formula_units_Z [2]
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  0.0000  0.5000  0.5000  1
  Hg  Hg1  2  0.0000  0.0000  0.0000  1
  S  S2  4  0.0991  0.5000  0.9061  1
  S  S3  4  0.1249  0.0000  0.5187  1
]