data_Hg2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   115.58
_cell_angle_beta   115.58
_cell_angle_gamma   97.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2S
_chemical_formula_sum   'Hg4 S2'
_cell_volume   142.37
_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
  Hg  Hg0  1  1.0  0.07  0.0  1.0
  Hg  Hg1  1  0.07  1.0  0.78  1.0
  Hg  Hg2  1  0.07  1.0  0.0  1.0
  Hg  Hg3  1  0.0  0.07  0.78  1.0
  S  S4  1  0.0  0.0  0.67  1.0
  S  S5  1  0.0  0.0  0.89  1.0

data_Hg2S
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.56
_cell_length_b   8.68
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   131.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg2S
_chemical_formula_sum   'Hg8 S4'
_cell_volume   284.73
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.47  0.46  0.0  1.0
  Hg  Hg1  4  0.47  0.46  0.22  1.0
  S  S2  2  0.0  0.0  0.11  1.0
  S  S3  2  0.0  0.0  0.33  1.0

Hg Hg Hg Hg S S