data_OsS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsS2
_chemical_formula_sum   'Os4 S8'
_cell_volume   180.52
_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
  Os  Os0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.83  0.83  0.0  1.0
  Os  Os2  1  0.83  0.0  0.83  1.0
  Os  Os3  1  0.0  0.83  0.83  1.0
  S  S4  1  1.0  0.17  0.66  1.0
  S  S5  1  0.48  1.0  0.66  1.0
  S  S6  1  0.17  0.17  0.17  1.0
  S  S7  1  0.66  1.0  0.17  1.0
  S  S8  1  1.0  0.66  0.48  1.0
  S  S9  1  0.48  0.48  0.48  1.0
  S  S10  1  0.17  0.66  1.0  1.0
  S  S11  1  0.66  0.48  1.0  1.0

data_OsS2
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.99
_cell_length_b   7.99
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   OsS2
_chemical_formula_sum   'Os12 S24'
_cell_volume   541.56
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Os  Os0  9  0.12  0.06  0.88  1.0
  Os  Os1  3  0.0  0.0  0.0  1.0
  S  S2  9  0.05  0.44  0.61  1.0
  S  S3  9  0.1  0.72  0.38  1.0
  S  S4  3  0.0  0.0  0.17  1.0
  S  S5  3  0.0  0.0  0.48  1.0

Os Os Os Os S S S S S S S S
Os Os Os Os S S S S S S S S 0 1 - - o 0 2 - o - 0 3 o - - 0 6 o o o 1 3 + o - 1 2 o + - 1 7 o o o 1 11 o o - 2 3 + - o 2 4 o o o 2 5 o - o 3 8 - o o 3 10 o o o 4 9 + o o 4 9 o o o 5 9 o + o 5 9 o o o 6 9 o o o 7 9 o + o 7 9 o o o 8 9 + o o 8 9 o o o 9 10 o o - 9 10 o o o 9 11 o o - 9 11 o o o 