data_CoSbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.93
_cell_length_c   11.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSbS
_chemical_formula_sum   'Co8 Sb8 S8'
_cell_volume   405.54
_cell_formula_units_Z   8
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
  Co  Co0  1  0.83  0.91  0.65  1.0
  Co  Co1  1  0.1  0.87  0.65  1.0
  Co  Co2  1  0.75  0.91  0.19  1.0
  Co  Co3  1  0.03  0.87  0.19  1.0
  Co  Co4  1  0.83  0.06  0.49  1.0
  Co  Co5  1  0.1  0.03  0.49  1.0
  Co  Co6  1  0.75  0.06  0.02  1.0
  Co  Co7  1  0.03  0.03  0.02  1.0
  Sb  Sb16  1  0.09  0.14  0.81  1.0
  Sb  Sb17  1  0.7  0.11  0.81  1.0
  Sb  Sb18  1  0.16  0.14  0.03  1.0
  Sb  Sb19  1  0.77  0.11  0.03  1.0
  Sb  Sb20  1  0.09  0.82  0.65  1.0
  Sb  Sb21  1  0.7  0.79  0.65  1.0
  Sb  Sb22  1  0.16  0.82  0.86  1.0
  Sb  Sb23  1  0.77  0.79  0.86  1.0
  S  S8  1  0.74  0.66  0.18  1.0
  S  S9  1  0.19  0.63  0.18  1.0
  S  S10  1  0.67  0.66  0.66  1.0
  S  S11  1  0.12  0.63  0.66  1.0
  S  S12  1  0.74  0.31  0.01  1.0
  S  S13  1  0.19  0.27  0.01  1.0
  S  S14  1  0.67  0.31  0.5  1.0
  S  S15  1  0.12  0.27  0.5  1.0

data_CoSbS
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.86
_cell_length_b   5.93
_cell_length_c   11.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoSbS
_chemical_formula_sum   'Co8 Sb8 S8'
_cell_volume   405.54
_cell_formula_units_Z   8
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
  Co  Co0  2  0.33  0.59  0.69  1.0
  Co  Co1  2  0.33  0.44  0.85  1.0
  Co  Co2  2  0.4  0.59  0.15  1.0
  Co  Co3  2  0.4  0.44  0.31  1.0
  Sb  Sb4  2  0.27  0.32  0.31  1.0
  Sb  Sb5  2  0.27  0.64  0.47  1.0
  Sb  Sb6  2  0.34  0.32  0.53  1.0
  Sb  Sb7  2  0.34  0.64  0.69  1.0
  S  S8  2  0.24  0.84  0.16  1.0
  S  S9  2  0.24  0.19  0.32  1.0
  S  S10  2  0.31  0.84  0.68  1.0
  S  S11  2  0.31  0.19  0.84  1.0

Co Co Co Co Co Co Co Co Sb Sb Sb Sb Sb Sb Sb Sb S S S S S S S S