data_Hg5S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.5
_cell_length_b   9.5
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg5S3
_chemical_formula_sum   'Hg10 S6'
_cell_volume   504.61
_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  0.75  0.74  0.23  1.0
  Hg  Hg1  1  0.0  0.48  0.0  1.0
  Hg  Hg2  1  0.0  0.48  0.23  1.0
  Hg  Hg3  1  0.75  0.74  0.0  1.0
  Hg  Hg4  1  0.21  0.56  0.84  1.0
  Hg  Hg5  1  0.04  0.66  0.61  1.0
  Hg  Hg6  1  0.96  0.66  0.84  1.0
  Hg  Hg7  1  0.58  0.0  0.84  1.0
  Hg  Hg8  1  0.92  0.0  0.61  1.0
  Hg  Hg9  1  0.79  0.56  0.61  1.0
  S  S10  1  0.63  0.38  0.84  1.0
  S  S11  1  0.62  0.85  0.61  1.0
  S  S12  1  0.38  0.85  0.84  1.0
  S  S13  1  0.75  0.0  0.84  1.0
  S  S14  1  0.75  0.0  0.61  1.0
  S  S15  1  0.37  0.38  0.61  1.0

data_Hg5S3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.46
_cell_length_b   9.5
_cell_length_c   9.5
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg5S3
_chemical_formula_sum   'Hg10 S6'
_cell_volume   504.61
_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  0.0  0.75  0.74  1.0
  Hg  Hg1  1  0.0  0.0  0.48  1.0
  Hg  Hg2  1  0.23  0.0  0.48  1.0
  Hg  Hg3  1  0.23  0.75  0.74  1.0
  Hg  Hg4  1  0.61  0.04  0.66  1.0
  Hg  Hg5  1  0.61  0.79  0.56  1.0
  Hg  Hg6  1  0.61  0.92  0.0  1.0
  Hg  Hg7  1  0.84  0.21  0.56  1.0
  Hg  Hg8  1  0.84  0.58  0.0  1.0
  Hg  Hg9  1  0.84  0.96  0.66  1.0
  S  S10  1  0.61  0.37  0.38  1.0
  S  S11  1  0.61  0.62  0.85  1.0
  S  S12  1  0.61  0.75  0.0  1.0
  S  S13  1  0.84  0.38  0.85  1.0
  S  S14  1  0.84  0.63  0.38  1.0
  S  S15  1  0.84  0.75  0.0  1.0

Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg S S S S S S