data_Fe(SbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.13
_cell_length_b   3.64
_cell_length_c   13.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(SbS2)2
_chemical_formula_sum   'Fe4 Sb8 S16'
_cell_volume   546.54
_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
  Fe  Fe0  1  0.42  0.91  0.14  1.0
  Fe  Fe1  1  0.27  0.73  0.88  1.0
  Fe  Fe2  1  0.71  0.73  0.36  1.0
  Fe  Fe3  1  0.85  0.91  0.61  1.0
  Sb  Sb20  1  0.95  0.91  0.16  1.0
  Sb  Sb21  1  0.75  0.73  0.42  1.0
  Sb  Sb22  1  0.38  0.91  0.08  1.0
  Sb  Sb23  1  0.18  0.73  0.33  1.0
  Sb  Sb24  1  0.22  0.73  0.33  1.0
  Sb  Sb25  1  0.48  0.91  0.59  1.0
  Sb  Sb26  1  0.65  0.73  0.91  1.0
  Sb  Sb27  1  0.91  0.91  0.16  1.0
  S  S4  1  0.17  0.73  0.91  1.0
  S  S5  1  0.53  0.91  0.16  1.0
  S  S6  1  0.6  0.73  0.33  1.0
  S  S7  1  0.96  0.91  0.58  1.0
  S  S8  1  0.09  0.73  0.95  1.0
  S  S9  1  0.61  0.91  0.21  1.0
  S  S10  1  0.52  0.73  0.29  1.0
  S  S11  1  0.04  0.91  0.54  1.0
  S  S12  1  0.98  0.91  0.65  1.0
  S  S13  1  0.71  0.73  0.9  1.0
  S  S14  1  0.42  0.91  0.59  1.0
  S  S15  1  0.15  0.73  0.84  1.0
  S  S16  1  0.47  0.91  0.05  1.0
  S  S17  1  0.23  0.73  0.3  1.0
  S  S18  1  0.9  0.91  0.19  1.0
  S  S19  1  0.66  0.73  0.45  1.0

data_Fe(SbS2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.64
_cell_length_b   11.13
_cell_length_c   13.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Fe(SbS2)2
_chemical_formula_sum   'Fe4 Sb8 S16'
_cell_volume   546.54
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Fe  Fe0  2  0.09  0.85  0.39  1.0
  Fe  Fe1  2  0.09  0.29  0.86  1.0
  Sb  Sb2  2  0.09  0.38  0.42  1.0
  Sb  Sb3  2  0.09  0.91  0.84  1.0
  Sb  Sb4  2  0.09  0.35  0.41  1.0
  Sb  Sb5  2  0.09  0.82  0.33  1.0
  S  S6  2  0.09  0.04  0.46  1.0
  S  S7  2  0.09  0.42  0.9  1.0
  S  S8  2  0.09  0.9  0.3  1.0
  S  S9  2  0.09  0.96  0.42  1.0
  S  S10  2  0.09  0.34  0.45  1.0
  S  S11  2  0.09  0.4  0.84  1.0
  S  S12  2  0.09  0.48  0.79  1.0
  S  S13  2  0.09  0.85  0.84  1.0

Fe Fe Fe Fe Sb Sb Sb Sb Sb Sb Sb Sb S S S S S S S S S S S S S S S S