data_Sm2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43
_cell_length_b   3.99
_cell_length_c   15.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2S3
_chemical_formula_sum   'Sm8 S12'
_cell_volume   460.65
_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
  Sm  Sm0  1  0.7  1.0  0.08  1.0
  Sm  Sm1  1  0.98  1.0  0.68  1.0
  Sm  Sm2  1  0.74  0.99  0.44  1.0
  Sm  Sm3  1  0.46  0.99  0.84  1.0
  Sm  Sm4  1  0.06  1.0  0.35  1.0
  Sm  Sm5  1  0.78  1.0  0.92  1.0
  Sm  Sm6  1  0.38  0.99  0.16  1.0
  Sm  Sm7  1  0.66  0.99  0.6  1.0
  S  S8  1  0.06  1.0  0.45  1.0
  S  S9  1  0.78  1.0  0.83  1.0
  S  S10  1  0.38  0.99  0.07  1.0
  S  S11  1  0.66  0.99  0.69  1.0
  S  S12  1  0.1  1.0  0.4  1.0
  S  S13  1  0.82  1.0  0.36  1.0
  S  S14  1  0.33  0.99  0.12  1.0
  S  S15  1  0.62  0.99  0.16  1.0
  S  S16  1  0.79  1.0  0.72  1.0
  S  S17  1  0.5  1.0  0.04  1.0
  S  S18  1  0.65  0.99  0.8  1.0
  S  S19  1  0.93  0.99  0.48  1.0

data_Sm2S3
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   7.43
_cell_length_b   3.99
_cell_length_c   15.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   Sm2S3
_chemical_formula_sum   'Sm8 S12'
_cell_volume   460.65
_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, y, -z'
  4  '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
  Sm  Sm0  2  0.16  0.0  0.9  1.0
  Sm  Sm1  2  0.24  0.0  0.58  1.0
  Sm  Sm2  2  0.44  0.0  0.34  1.0
  Sm  Sm3  2  0.48  0.0  0.82  1.0
  S  S4  2  0.12  0.0  0.86  1.0
  S  S5  2  0.16  0.0  0.81  1.0
  S  S6  2  0.29  0.0  0.78  1.0
  S  S7  2  0.4  0.0  0.9  1.0
  S  S8  2  0.43  0.0  0.54  1.0
  S  S9  2  0.44  0.0  0.43  1.0

Sm Sm Sm Sm Sm Sm Sm Sm S S S S S S S S S S S S
Sm Sm Sm Sm Sm Sm Sm Sm S S S S S S S S S S S S 0 15 o o o 0 17 o o o 1 16 o o o 2 13 o o o 2 19 o o o 3 18 o o o 4 12 o o o 5 9 o o o 6 14 o o o 7 11 o o o 8 19 - o o 8 12 o o o 9 18 o o o 10 14 o o o 10 17 o o o 11 16 o o o 