data_Sb2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   10.75
_cell_length_c   26.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2S3
_chemical_formula_sum   'Sb4 S6'
_cell_volume   1084.35
_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
  Sb  Sb0  1  0.25  0.96  0.3  1.0
  Sb  Sb1  1  0.75  0.04  0.17  1.0
  Sb  Sb2  1  0.75  0.66  0.25  1.0
  Sb  Sb3  1  0.25  0.34  0.21  1.0
  S  S4  1  0.25  0.54  0.3  1.0
  S  S5  1  0.75  0.46  0.17  1.0
  S  S6  1  0.25  0.87  0.21  1.0
  S  S7  1  0.75  0.13  0.25  1.0
  S  S8  1  0.25  0.19  0.13  1.0
  S  S9  1  0.75  0.81  0.33  1.0

Sb Sb Sb Sb S S S S S S 0 9 - o o 0 9 o o o 0 7 - + o 0 7 o + o 0 6 o o o 1 6 o - o 1 6 + - o 1 8 o o o 1 8 + o o 1 7 o o o 2 4 o o o 2 4 + o o 2 6 o o o 2 6 + o o 2 5 o o o 2 9 o o o 3 7 - o o 3 7 o o o 3 5 - o o 3 5 o o o 3 8 o o o 3 4 o o o 
data_Sb2S3
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   10.75
_cell_length_b   3.86
_cell_length_c   26.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   Sb2S3
_chemical_formula_sum   'Sb4 S6'
_cell_volume   1084.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z'
  4  'x, -y+1/2, 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
  Sb  Sb0  2  0.04  0.25  0.93  1.0
  Sb  Sb1  2  0.34  0.75  0.98  1.0
  S  S2  2  0.13  0.25  0.02  1.0
  S  S3  2  0.19  0.75  0.9  1.0
  S  S4  2  0.46  0.25  0.94  1.0
