data_[Hg7S1]
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
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [6.2184]
_cell_length_b [19.1468]
_cell_length_c [9.7425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Hg7S]
_chemical_formula_sum '[Hg7 S1]'
_cell_volume [1143.5578]
_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
[
  Hg  Hg0  2  0.1076  0.5277  0.3619  1
  Hg  Hg1  2  0.2362  0.5255  0.0562  1
  Hg  Hg2  2  0.3455  0.5265  0.7519  1
  Hg  Hg3  1  0.5000  0.3120  0.5000  1
  S  S4  1  0.5000  0.5286  0.5000  1
]