data_HgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   130.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgS3
_chemical_formula_sum   'Hg1 S3'
_cell_volume   94.96
_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  1  0.0  0.0  0.73  1.0
  S  S1  1  0.51  0.0  0.61  1.0
  S  S2  1  0.0  0.0  0.0  1.0
  S  S3  1  0.51  0.0  0.85  1.0

data_HgS3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.64
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgS3
_chemical_formula_sum   'Hg1 S3'
_cell_volume   94.96
_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  1  0.0  0.0  0.73  1.0
  S  S1  1  0.0  0.0  0.0  1.0
  S  S2  1  0.0  0.51  0.61  1.0
  S  S3  1  0.0  0.51  0.85  1.0

Hg S S S