data_[Hg4S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [8.7064]
_cell_length_b [5.0448]
_cell_length_c [8.8173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgSO4]
_chemical_formula_sum '[Hg4 S4 O16]'
_cell_volume [365.2123]
_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
[
  Hg  Hg0  4  0.2500  0.2500  0.5000  1
  S  S1  4  0.0000  0.1220  0.7500  1
  O  O2  8  0.0145  0.2742  0.8952  1
  O  O3  8  0.1497  0.0589  0.2781  1
]