data_Tb4GaSbS9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.58
_cell_length_b   9.92
_cell_length_c   9.92
_cell_angle_alpha   89.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4GaSbS9
_chemical_formula_sum   'Tb16 Ga4 Sb4 S36'
_cell_volume   1337.04
_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
  Tb  Tb0  1  0.05  0.56  0.82  1.0
  Tb  Tb1  1  0.54  0.44  0.82  1.0
  Tb  Tb2  1  0.33  0.52  0.82  1.0
  Tb  Tb3  1  0.26  0.48  0.82  1.0
  Tb  Tb4  1  0.16  0.62  0.96  1.0
  Tb  Tb5  1  0.42  0.38  0.96  1.0
  Tb  Tb6  1  0.21  0.57  0.96  1.0
  Tb  Tb7  1  0.37  0.43  0.96  1.0
  Tb  Tb8  1  0.27  0.69  0.95  1.0
  Tb  Tb9  1  0.31  0.31  0.95  1.0
  Tb  Tb10  1  0.11  0.69  0.03  1.0
  Tb  Tb11  1  0.48  0.31  0.03  1.0
  Tb  Tb12  1  0.17  0.45  0.21  1.0
  Tb  Tb13  1  0.41  0.55  0.21  1.0
  Tb  Tb14  1  0.2  0.41  0.21  1.0
  Tb  Tb15  1  0.38  0.59  0.21  1.0
  Ga  Ga16  1  0.34  0.46  0.17  1.0
  Ga  Ga17  1  0.24  0.54  0.17  1.0
  Ga  Ga18  1  0.04  0.46  0.1  1.0
  Ga  Ga19  1  0.55  0.54  0.1  1.0
  Sb  Sb20  1  0.33  0.12  0.63  1.0
  Sb  Sb21  1  0.26  0.88  0.63  1.0
  Sb  Sb22  1  0.05  0.12  0.55  1.0
  Sb  Sb23  1  0.54  0.88  0.55  1.0
  S  S24  1  0.14  0.28  0.02  1.0
  S  S25  1  0.44  0.72  0.02  1.0
  S  S26  1  0.23  0.24  0.02  1.0
  S  S27  1  0.35  0.76  0.02  1.0
  S  S28  1  0.48  0.68  0.42  1.0
  S  S29  1  0.1  0.32  0.42  1.0
  S  S30  1  0.89  0.68  0.5  1.0
  S  S31  1  0.69  0.32  0.5  1.0
  S  S32  1  0.9  0.16  0.42  1.0
  S  S33  1  0.68  0.84  0.42  1.0
  S  S34  1  0.48  0.16  0.34  1.0
  S  S35  1  0.11  0.84  0.34  1.0
  S  S36  1  0.99  0.77  0.81  1.0
  S  S37  1  0.59  0.23  0.81  1.0
  S  S38  1  0.38  0.81  0.81  1.0
  S  S39  1  0.2  0.19  0.81  1.0
  S  S40  1  0.79  0.0  0.78  1.0
  S  S41  1  0.0  0.0  0.85  1.0
  S  S42  1  0.93  0.28  0.43  1.0
  S  S43  1  0.66  0.72  0.43  1.0
  S  S44  1  0.45  0.24  0.43  1.0
  S  S45  1  0.13  0.76  0.43  1.0
  S  S46  1  0.72  0.43  0.0  1.0
  S  S47  1  0.86  0.57  0.0  1.0
  S  S48  1  0.65  0.47  0.0  1.0
  S  S49  1  0.93  0.53  0.0  1.0
  S  S50  1  0.2  0.19  0.86  1.0
  S  S51  1  0.38  0.81  0.86  1.0
  S  S52  1  0.17  0.19  0.93  1.0
  S  S53  1  0.41  0.81  0.93  1.0
  S  S54  1  0.79  0.0  0.06  1.0
  S  S55  1  0.0  0.0  0.14  1.0
  S  S56  1  0.24  0.74  0.32  1.0
  S  S57  1  0.34  0.26  0.32  1.0
  S  S58  1  0.13  0.7  0.32  1.0
  S  S59  1  0.45  0.3  0.32  1.0

data_Tb4GaSbS9
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.92
_cell_length_b   9.92
_cell_length_c   13.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4GaSbS9
_chemical_formula_sum   'Tb16 Ga4 Sb4 S36'
_cell_volume   1337.04
_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
  Tb  Tb0  1  0.31  0.05  0.69  1.0
  Tb  Tb1  1  0.31  0.97  0.52  1.0
  Tb  Tb2  1  0.38  0.04  0.58  1.0
  Tb  Tb3  1  0.41  0.79  0.8  1.0
  Tb  Tb4  1  0.43  0.04  0.63  1.0
  Tb  Tb5  1  0.44  0.18  0.46  1.0
  Tb  Tb6  1  0.45  0.79  0.83  1.0
  Tb  Tb7  1  0.48  0.18  0.74  1.0
  Tb  Tb8  1  0.52  0.18  0.67  1.0
  Tb  Tb9  1  0.55  0.79  0.59  1.0
  Tb  Tb10  1  0.56  0.18  0.95  1.0
  Tb  Tb11  1  0.57  0.04  0.79  1.0
  Tb  Tb12  1  0.59  0.79  0.62  1.0
  Tb  Tb13  1  0.62  0.04  0.84  1.0
  Tb  Tb14  1  0.69  0.05  0.73  1.0
  Tb  Tb15  1  0.69  0.97  0.89  1.0
  Ga  Ga16  1  0.46  0.83  0.66  1.0
  Ga  Ga17  1  0.46  0.9  0.96  1.0
  Ga  Ga18  1  0.54  0.83  0.76  1.0
  Ga  Ga19  1  0.54  0.9  0.45  1.0
  Sb  Sb20  1  0.12  0.37  0.67  1.0
  Sb  Sb21  1  0.12  0.45  0.95  1.0
  Sb  Sb22  1  0.88  0.37  0.74  1.0
  Sb  Sb23  1  0.88  0.45  0.46  1.0
  S  S24  1  0.0  0.15  0.0  1.0
  S  S25  1  0.0  0.22  0.21  1.0
  S  S26  1  0.0  0.86  0.0  1.0
  S  S27  1  0.0  0.94  0.21  1.0
  S  S28  1  0.16  0.58  0.1  1.0
  S  S29  1  0.16  0.66  0.52  1.0
  S  S30  1  0.19  0.19  0.8  1.0
  S  S31  1  0.19  0.07  0.83  1.0
  S  S32  1  0.19  0.14  0.8  1.0
  S  S33  1  0.23  0.19  0.41  1.0
  S  S34  1  0.24  0.57  0.55  1.0
  S  S35  1  0.24  0.98  0.77  1.0
  S  S36  1  0.26  0.68  0.66  1.0
  S  S37  1  0.28  0.57  0.07  1.0
  S  S38  1  0.28  0.98  0.86  1.0
  S  S39  1  0.3  0.68  0.55  1.0
  S  S40  1  0.32  0.5  0.31  1.0
  S  S41  1  0.32  0.58  0.9  1.0
  S  S42  1  0.43  1.0  0.28  1.0
  S  S43  1  0.47  1.0  0.35  1.0
  S  S44  1  0.53  1.0  0.07  1.0
  S  S45  1  0.57  1.0  0.14  1.0
  S  S46  1  0.68  0.5  0.11  1.0
  S  S47  1  0.68  0.58  0.52  1.0
  S  S48  1  0.7  0.68  0.87  1.0
  S  S49  1  0.72  0.98  0.56  1.0
  S  S50  1  0.72  0.57  0.34  1.0
  S  S51  1  0.74  0.68  0.76  1.0
  S  S52  1  0.76  0.98  0.65  1.0
  S  S53  1  0.76  0.57  0.87  1.0
  S  S54  1  0.77  0.19  0.01  1.0
  S  S55  1  0.81  0.07  0.59  1.0
  S  S56  1  0.81  0.14  0.62  1.0
  S  S57  1  0.81  0.19  0.62  1.0
  S  S58  1  0.84  0.58  0.32  1.0
  S  S59  1  0.84  0.66  0.89  1.0

Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Ga Ga Ga Ga Sb Sb Sb Sb S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S
Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Ga Ga Ga Ga Sb Sb Sb Sb S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S 0 49 - o + 0 36 - o o 0 10 o o + 0 6 o o o 0 4 o o o 0 30 - o o 1 11 o o + 1 7 o o o 1 5 o o o 1 37 o o o 1 48 o o + 1 31 o o o 2 3 o o o 4 6 o o o 4 8 o o o 4 10 o o + 5 7 o o o 5 9 o o o 5 11 o o + 6 8 o o o 7 9 o o o 8 27 o o + 9 26 o o + 12 14 o o o 12 17 o o o 12 18 o o o 12 29 o o o 13 15 o o o 13 16 o o o 13 19 o o o 13 28 o o o 14 17 o o o 14 29 o o o 15 16 o o o 15 28 o o o 16 17 o o o 18 49 - o o 19 48 o o o 20 21 o - o 20 50 o o o 20 39 o o o 20 44 o o o 21 45 o o o 21 51 o o o 21 38 o o o 22 42 - o o 22 32 - o o 22 29 o o o 23 28 o o o 23 43 o o o 23 33 o o o 24 26 o o o 24 52 o o - 25 53 o o - 25 27 o o o 26 52 o o - 27 53 o o - 28 43 o o o 29 42 - o o 30 43 o o o 30 33 o o o 30 42 o o o 30 58 + o o 30 45 + o o 30 35 + o o 30 36 o o o 31 59 o o o 31 44 o o o 31 34 o o o 31 37 o o o 31 43 o o o 31 42 o o o 31 32 o o o 32 42 o o o 32 55 + o o 33 43 o o o 34 59 o o o 34 44 o o o 35 45 o o o 35 55 o + o 35 58 o o o 36 41 + + o 38 51 o o o 39 50 o o o 40 41 + o o 40 54 o o + 41 55 o o + 44 59 o o o 44 57 o o o 45 58 o o o 45 56 o o o 46 48 o o o 47 49 o o o 50 52 o o o 51 53 o o o 54 55 + o o 56 58 o o o 57 59 o o o 