data_[Hg4P8H24S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8092]
_cell_length_b [17.3849]
_cell_length_c [7.6109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgP2H6S]
_chemical_formula_sum '[Hg4 P8 H24 S4]'
_cell_volume [906.8654]
_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  0.0000  0.1166  0.2500  1.0
  P  P1  8  0.2042  0.8802  0.5853  1.0
  H  H2  8  0.0673  0.0745  0.9207  1.0
  H  H3  8  0.0683  0.3088  0.1700  1.0
  H  H4  8  0.1881  0.4466  0.8077  1.0
  S  S5  4  0.0000  0.3621  0.2500  1.0
]