data_[Ni4Hg4S4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1200]
_cell_length_b [6.0852]
_cell_length_c [6.4804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NiHgSO]
_chemical_formula_sum '[Ni4 Hg4 S4 O4]'
_cell_volume [319.9130]
_cell_formula_units_Z [4]
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
[
  Ni  Ni0  4  0.4567  0.5959  0.1917  1
  Hg  Hg1  4  0.1443  0.7386  0.9748  1
  S  S2  4  0.1692  0.0420  0.7404  1
  O  O3  4  0.4458  0.6768  0.8914  1
]