data_SbAs2Cl13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51
_cell_length_b   9.51
_cell_length_c   11.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAs2Cl13
_chemical_formula_sum   'Sb2 As4 Cl26'
_cell_volume   961.02
_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  Sb30  1  0.09  0.63  0.03  1.0
  Sb  Sb31  1  0.09  0.37  0.91  1.0
  As  As0  1  0.09  0.87  0.01  1.0
  As  As1  1  0.09  0.78  0.31  1.0
  As  As2  1  0.09  0.13  0.13  1.0
  As  As3  1  0.09  0.22  0.43  1.0
  Cl  Cl4  1  0.09  0.62  0.44  1.0
  Cl  Cl5  1  0.37  0.69  0.34  1.0
  Cl  Cl6  1  0.8  0.69  0.34  1.0
  Cl  Cl7  1  0.4  0.46  0.25  1.0
  Cl  Cl8  1  0.77  0.46  0.25  1.0
  Cl  Cl9  1  0.09  0.13  0.08  1.0
  Cl  Cl10  1  0.09  0.91  0.76  1.0
  Cl  Cl11  1  0.71  0.47  0.31  1.0
  Cl  Cl12  1  0.46  0.47  0.31  1.0
  Cl  Cl13  1  0.09  0.4  0.21  1.0
  Cl  Cl14  1  0.71  0.69  0.09  1.0
  Cl  Cl15  1  0.46  0.69  0.09  1.0
  Cl  Cl16  1  0.09  0.76  0.9  1.0
  Cl  Cl17  1  0.09  0.38  0.57  1.0
  Cl  Cl18  1  0.37  0.31  0.46  1.0
  Cl  Cl19  1  0.8  0.31  0.46  1.0
  Cl  Cl20  1  0.4  0.54  0.37  1.0
  Cl  Cl21  1  0.77  0.54  0.37  1.0
  Cl  Cl22  1  0.09  0.87  0.21  1.0
  Cl  Cl23  1  0.09  0.09  0.89  1.0
  Cl  Cl24  1  0.71  0.53  0.43  1.0
  Cl  Cl25  1  0.46  0.53  0.43  1.0
  Cl  Cl26  1  0.09  0.6  0.33  1.0
  Cl  Cl27  1  0.71  0.31  0.21  1.0
  Cl  Cl28  1  0.46  0.31  0.21  1.0
  Cl  Cl29  1  0.09  0.24  0.02  1.0

data_SbAs2Cl13
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.51
_cell_length_b   9.51
_cell_length_c   11.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAs2Cl13
_chemical_formula_sum   'Sb2 As4 Cl26'
_cell_volume   961.02
_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  0.09  0.37  0.91  1.0
  Sb  Sb1  1  0.09  0.63  0.03  1.0
  As  As2  1  0.09  0.13  0.13  1.0
  As  As3  1  0.09  0.22  0.43  1.0
  As  As4  1  0.09  0.78  0.31  1.0
  As  As5  1  0.09  0.87  0.01  1.0
  Cl  Cl6  1  0.09  0.09  0.89  1.0
  Cl  Cl7  1  0.09  0.13  0.08  1.0
  Cl  Cl8  1  0.09  0.24  0.02  1.0
  Cl  Cl9  1  0.09  0.38  0.57  1.0
  Cl  Cl10  1  0.09  0.4  0.21  1.0
  Cl  Cl11  1  0.09  0.6  0.33  1.0
  Cl  Cl12  1  0.09  0.62  0.44  1.0
  Cl  Cl13  1  0.09  0.76  0.9  1.0
  Cl  Cl14  1  0.09  0.87  0.21  1.0
  Cl  Cl15  1  0.09  0.91  0.76  1.0
  Cl  Cl16  1  0.37  0.31  0.46  1.0
  Cl  Cl17  1  0.37  0.69  0.34  1.0
  Cl  Cl18  1  0.4  0.46  0.25  1.0
  Cl  Cl19  1  0.4  0.54  0.37  1.0
  Cl  Cl20  1  0.46  0.31  0.21  1.0
  Cl  Cl21  1  0.46  0.69  0.09  1.0
  Cl  Cl22  1  0.46  0.47  0.31  1.0
  Cl  Cl23  1  0.46  0.53  0.43  1.0
  Cl  Cl24  1  0.71  0.47  0.31  1.0
  Cl  Cl25  1  0.71  0.53  0.43  1.0
  Cl  Cl26  1  0.71  0.31  0.21  1.0
  Cl  Cl27  1  0.71  0.69  0.09  1.0
  Cl  Cl28  1  0.77  0.46  0.25  1.0
  Cl  Cl29  1  0.77  0.54  0.37  1.0
  Cl  Cl30  1  0.8  0.31  0.46  1.0
  Cl  Cl31  1  0.8  0.69  0.34  1.0

Sb Sb As As As As Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
Sb Sb As As As As Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 2 o o o 0 18 o o - 0 15 o o o 1 31 o o + 2 18 o o - 2 25 o + - 3 24 o o o 3 28 o o o 4 11 o o o 4 15 o o o 5 19 o o o 5 20 o o o 5 15 o o o 5 21 - o o 6 28 o o o 6 21 - o o 7 22 o o o 8 23 o o o 9 14 o o o 9 15 o o o 9 17 o o o 9 30 o o o 10 13 o o o 10 21 o o o 10 29 o o o 11 15 o o o 11 25 o o - 11 31 o o o 12 25 o + o 12 18 o o o 13 23 o o o 13 21 o o o 14 20 o o o 14 30 o o o 15 28 o o o 15 31 o o o 16 17 o o o 19 21 - o o 20 27 o o o 20 22 o o o 21 29 o o o 21 26 o o o 21 23 o o o 22 27 o o o 23 26 o o o 25 31 o o + 