data_Tb3CrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.32
_cell_length_b   16.03
_cell_length_c   3.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3CrS6
_chemical_formula_sum   'Tb12 Cr4 S24'
_cell_volume   810.69
_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  0.33  0.5  0.0  1.0
  Tb  Tb1  1  0.99  0.53  0.0  1.0
  Tb  Tb2  1  0.65  0.52  0.9  1.0
  Tb  Tb3  1  0.67  0.51  0.9  1.0
  Tb  Tb4  1  0.05  0.56  0.0  1.0
  Tb  Tb5  1  0.28  0.47  0.0  1.0
  Tb  Tb6  1  0.94  0.57  0.9  1.0
  Tb  Tb7  1  0.39  0.46  0.9  1.0
  Tb  Tb8  1  0.26  0.38  0.0  1.0
  Tb  Tb9  1  0.06  0.65  0.0  1.0
  Tb  Tb10  1  0.4  0.39  0.9  1.0
  Tb  Tb11  1  0.92  0.64  0.9  1.0
  Cr  Cr12  1  0.0  0.02  0.0  1.0
  Cr  Cr13  1  0.66  0.0  0.9  1.0
  Cr  Cr14  1  0.0  0.0  0.0  1.0
  Cr  Cr15  1  0.66  0.02  0.9  1.0
  S  S16  1  0.61  0.71  0.0  1.0
  S  S17  1  0.71  0.32  0.0  1.0
  S  S18  1  0.05  0.73  0.9  1.0
  S  S19  1  0.27  0.3  0.9  1.0
  S  S20  1  0.49  0.64  0.0  1.0
  S  S21  1  0.83  0.39  0.0  1.0
  S  S22  1  0.17  0.65  0.9  1.0
  S  S23  1  0.16  0.38  0.9  1.0
  S  S24  1  0.39  0.36  0.0  1.0
  S  S25  1  0.93  0.67  0.0  1.0
  S  S26  1  0.27  0.34  0.9  1.0
  S  S27  1  0.05  0.69  0.9  1.0
  S  S28  1  0.98  0.55  0.0  1.0
  S  S29  1  0.34  0.48  0.0  1.0
  S  S30  1  0.01  0.56  0.9  1.0
  S  S31  1  0.32  0.47  0.9  1.0
  S  S32  1  0.38  0.09  0.0  1.0
  S  S33  1  0.95  0.94  0.0  1.0
  S  S34  1  0.29  0.08  0.9  1.0
  S  S35  1  0.04  0.95  0.9  1.0
  S  S36  1  0.56  0.82  0.0  1.0
  S  S37  1  0.76  0.21  0.0  1.0
  S  S38  1  0.1  0.84  0.9  1.0
  S  S39  1  0.22  0.19  0.9  1.0

data_Tb3CrS6
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   13.32
_cell_length_c   16.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3CrS6
_chemical_formula_sum   'Tb12 Cr4 S24'
_cell_volume   810.69
_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  -0.0  0.28  0.47  1.0
  Tb  Tb1  1  -0.0  0.26  0.38  1.0
  Tb  Tb2  1  -0.0  0.06  0.65  1.0
  Tb  Tb3  1  -0.0  0.05  0.56  1.0
  Tb  Tb4  1  0.0  0.33  0.5  1.0
  Tb  Tb5  1  0.0  0.99  0.53  1.0
  Tb  Tb6  1  0.9  0.39  0.46  1.0
  Tb  Tb7  1  0.9  0.4  0.39  1.0
  Tb  Tb8  1  0.9  0.65  0.52  1.0
  Tb  Tb9  1  0.9  0.67  0.51  1.0
  Tb  Tb10  1  0.9  0.92  0.64  1.0
  Tb  Tb11  1  0.9  0.94  0.57  1.0
  Cr  Cr12  1  -0.0  0.0  0.02  1.0
  Cr  Cr13  1  0.0  0.0  0.0  1.0
  Cr  Cr14  1  0.9  0.66  0.0  1.0
  Cr  Cr15  1  0.9  0.66  0.02  1.0
  S  S16  1  -0.0  0.34  0.48  1.0
  S  S17  1  -0.0  0.56  0.82  1.0
  S  S18  1  -0.0  0.83  0.39  1.0
  S  S19  1  -0.0  0.71  0.32  1.0
  S  S20  1  -0.0  0.95  0.94  1.0
  S  S21  1  -0.0  0.39  0.36  1.0
  S  S22  1  -0.0  0.61  0.71  1.0
  S  S23  1  -0.0  0.76  0.21  1.0
  S  S24  1  0.0  0.93  0.67  1.0
  S  S25  1  0.0  0.38  0.09  1.0
  S  S26  1  0.0  0.49  0.64  1.0
  S  S27  1  0.0  0.98  0.55  1.0
  S  S28  1  0.9  0.01  0.56  1.0
  S  S29  1  0.9  0.04  0.95  1.0
  S  S30  1  0.9  0.05  0.73  1.0
  S  S31  1  0.9  0.05  0.69  1.0
  S  S32  1  0.9  0.1  0.84  1.0
  S  S33  1  0.9  0.16  0.38  1.0
  S  S34  1  0.9  0.17  0.65  1.0
  S  S35  1  0.9  0.22  0.19  1.0
  S  S36  1  0.9  0.27  0.34  1.0
  S  S37  1  0.9  0.27  0.3  1.0
  S  S38  1  0.9  0.29  0.08  1.0
  S  S39  1  0.9  0.32  0.47  1.0

Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Cr Cr Cr Cr 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 Cr Cr Cr Cr 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 29 o o o 1 28 o o o 2 3 o o o 4 30 o o - 5 31 o o - 6 30 + o o 6 28 o o + 7 29 o o + 7 31 o o o 8 26 o o - 8 23 o o - 9 27 o o - 9 22 o o - 10 24 o o + 11 25 o o + 12 14 o o o 12 33 - - o 12 35 o - - 13 15 o o o 14 33 - - o 14 35 o - - 16 20 o o o 16 36 o o o 17 37 o o o 17 21 o o o 18 27 o o o 18 38 o o o 19 26 o o o 19 39 o o o 22 27 o o o 23 26 o o o 28 30 + o - 29 31 o o - 32 34 o o - 33 35 + o - 34 39 o o o 35 38 o o o 