data_SiS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   6.66
_cell_length_c   24.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiS
_chemical_formula_sum   'Si4 S4'
_cell_volume   634.49
_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
  Si  Si0  1  0.0  0.0  0.53  1.0
  Si  Si1  1  0.5  0.0  0.47  1.0
  Si  Si2  1  0.0  0.5  0.53  1.0
  Si  Si3  1  0.5  0.5  0.47  1.0
  S  S4  1  0.05  0.75  0.58  1.0
  S  S5  1  0.95  0.25  0.58  1.0
  S  S6  1  0.45  0.75  0.42  1.0
  S  S7  1  0.55  0.25  0.42  1.0

Si Si Si Si S S S S 0 1 - o o 0 1 o o o 0 5 - o o 0 4 o - o 1 6 o - o 1 7 o o o 2 5 - o o 2 3 - o o 2 3 o o o 2 4 o o o 3 6 o o o 3 7 o o o 
data_SiS
_symmetry_space_group_name_H-M   Pmna
_cell_length_a   6.66
_cell_length_b   24.07
_cell_length_c   3.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   53
_chemical_formula_structural   SiS
_chemical_formula_sum   'Si4 S4'
_cell_volume   634.49
_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, z+1/2'
  4  'x+1/2, y, -z+1/2'
  5  'x, -y, -z'
  6  '-x, y, z'
  7  '-x+1/2, y, -z+1/2'
  8  'x+1/2, -y, z+1/2'
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
  Si  Si0  4  0.25  0.47  0.25  1.0
  S  S1  4  0.0  0.42  0.3  1.0
