data_Sb(MoS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   3.2
_cell_length_c   9.53
_cell_angle_alpha   90.0
_cell_angle_beta   106.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb(MoS)2
_chemical_formula_sum   'Sb2 Mo4 S4'
_cell_volume   194.12
_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  Sb8  1  0.29  0.8  0.05  1.0
  Sb  Sb9  1  0.7  0.4  0.1  1.0
  Mo  Mo4  1  0.4  0.8  0.05  1.0
  Mo  Mo5  1  0.87  0.8  0.77  1.0
  Mo  Mo6  1  0.59  0.4  0.11  1.0
  Mo  Mo7  1  0.12  0.4  0.39  1.0
  S  S0  1  0.12  0.4  0.09  1.0
  S  S1  1  0.69  0.4  0.31  1.0
  S  S2  1  0.86  0.8  0.06  1.0
  S  S3  1  0.29  0.8  0.85  1.0

data_Sb(MoS)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.2
_cell_length_b   6.62
_cell_length_c   9.53
_cell_angle_alpha   106.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sb(MoS)2
_chemical_formula_sum   'Sb2 Mo4 S4'
_cell_volume   194.12
_cell_formula_units_Z   2
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
  Sb  Sb0  2  0.2  0.29  0.48  1.0
  Mo  Mo1  2  0.2  0.4  0.47  1.0
  Mo  Mo2  2  0.2  0.88  0.19  1.0
  S  S3  2  0.2  0.3  0.27  1.0
  S  S4  2  0.2  0.87  0.49  1.0

Sb Sb Mo Mo Mo Mo S S S S
Sb Sb Mo Mo Mo Mo S S S S 0 2 o o o 0 3 - o - 0 6 o o o 0 9 o o - 1 4 o o o 1 5 + o o 1 7 o o o 1 8 o o o 2 9 o o - 3 8 o o + 3 6 + o + 3 3 o + o 3 9 + o o 4 7 o o o 5 8 - o o 5 7 - o o 5 5 o + o 5 6 o o o 6 8 - o o 