data_Ta14(CuS8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   8.82
_cell_length_c   13.09
_cell_angle_alpha   92.36
_cell_angle_beta   97.84
_cell_angle_gamma   101.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta14(CuS8)3
_chemical_formula_sum   'Ta14 Cu3 S24'
_cell_volume   747.04
_cell_formula_units_Z   1
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
  Ta  Ta0  1  0.94  0.97  0.14  1.0
  Ta  Ta1  1  0.65  0.91  0.15  1.0
  Ta  Ta2  1  0.34  0.01  0.13  1.0
  Ta  Ta3  1  0.08  0.03  0.01  1.0
  Ta  Ta4  1  0.93  0.9  0.2  1.0
  Ta  Ta5  1  0.21  0.82  0.18  1.0
  Ta  Ta6  1  0.22  0.96  0.74  1.0
  Ta  Ta7  1  0.92  0.76  0.2  1.0
  Ta  Ta8  1  0.94  0.92  0.76  1.0
  Ta  Ta9  1  0.2  0.83  0.75  1.0
  Ta  Ta10  1  0.86  0.61  0.0  1.0
  Ta  Ta11  1  0.82  0.73  0.81  1.0
  Ta  Ta12  1  0.52  0.82  0.79  1.0
  Ta  Ta13  1  0.19  0.75  0.8  1.0
  Cu  Cu14  1  0.24  0.78  0.0  1.0
  Cu  Cu15  1  0.91  0.97  0.93  1.0
  Cu  Cu16  1  0.88  0.7  0.93  1.0
  S  S17  1  0.88  0.99  0.17  1.0
  S  S18  1  0.91  0.04  0.35  1.0
  S  S19  1  0.6  0.95  0.18  1.0
  S  S20  1  0.28  0.05  0.21  1.0
  S  S21  1  0.56  0.92  0.37  1.0
  S  S22  1  0.24  0.07  0.39  1.0
  S  S23  1  0.32  0.95  0.54  1.0
  S  S24  1  0.28  0.93  0.72  1.0
  S  S25  1  0.19  0.81  0.23  1.0
  S  S26  1  0.2  0.93  0.18  1.0
  S  S27  1  0.19  0.79  0.36  1.0
  S  S28  1  0.29  0.87  0.33  1.0
  S  S29  1  0.86  0.87  0.61  1.0
  S  S30  1  0.96  0.95  0.59  1.0
  S  S31  1  0.95  0.8  0.76  1.0
  S  S32  1  0.96  0.92  0.71  1.0
  S  S33  1  0.87  0.76  0.21  1.0
  S  S34  1  0.83  0.79  0.39  1.0
  S  S35  1  0.9  0.66  0.57  1.0
  S  S36  1  0.59  0.81  0.57  1.0
  S  S37  1  0.9  0.71  0.71  1.0
  S  S38  1  0.55  0.78  0.76  1.0
  S  S39  1  0.24  0.69  0.57  1.0
  S  S40  1  0.23  0.76  0.76  1.0

data_Ta14(CuS8)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.68
_cell_length_b   8.82
_cell_length_c   13.09
_cell_angle_alpha   92.36
_cell_angle_beta   97.84
_cell_angle_gamma   101.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta14(CuS8)3
_chemical_formula_sum   'Ta14 Cu3 S24'
_cell_volume   747.04
_cell_formula_units_Z   1
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
  Ta  Ta0  1  0.08  0.03  0.01  1.0
  Ta  Ta1  1  0.19  0.75  0.8  1.0
  Ta  Ta2  1  0.2  0.83  0.75  1.0
  Ta  Ta3  1  0.21  0.82  0.18  1.0
  Ta  Ta4  1  0.22  0.96  0.74  1.0
  Ta  Ta5  1  0.34  0.01  0.13  1.0
  Ta  Ta6  1  0.52  0.82  0.79  1.0
  Ta  Ta7  1  0.65  0.91  0.15  1.0
  Ta  Ta8  1  0.82  0.73  0.81  1.0
  Ta  Ta9  1  0.86  0.61  0.0  1.0
  Ta  Ta10  1  0.92  0.76  0.2  1.0
  Ta  Ta11  1  0.93  0.9  0.2  1.0
  Ta  Ta12  1  0.94  0.97  0.14  1.0
  Ta  Ta13  1  0.94  0.92  0.76  1.0
  Cu  Cu14  1  0.24  0.78  0.0  1.0
  Cu  Cu15  1  0.88  0.7  0.93  1.0
  Cu  Cu16  1  0.91  0.97  0.93  1.0
  S  S17  1  0.19  0.79  0.36  1.0
  S  S18  1  0.19  0.81  0.23  1.0
  S  S19  1  0.2  0.93  0.18  1.0
  S  S20  1  0.23  0.76  0.76  1.0
  S  S21  1  0.24  0.69  0.57  1.0
  S  S22  1  0.24  0.07  0.39  1.0
  S  S23  1  0.28  0.93  0.72  1.0
  S  S24  1  0.28  0.05  0.21  1.0
  S  S25  1  0.29  0.87  0.33  1.0
  S  S26  1  0.32  0.95  0.54  1.0
  S  S27  1  0.55  0.78  0.76  1.0
  S  S28  1  0.56  0.92  0.37  1.0
  S  S29  1  0.59  0.81  0.57  1.0
  S  S30  1  0.6  0.95  0.18  1.0
  S  S31  1  0.83  0.79  0.39  1.0
  S  S32  1  0.86  0.87  0.61  1.0
  S  S33  1  0.87  0.76  0.21  1.0
  S  S34  1  0.88  0.99  0.17  1.0
  S  S35  1  0.9  0.66  0.57  1.0
  S  S36  1  0.9  0.71  0.71  1.0
  S  S37  1  0.91  0.04  0.35  1.0
  S  S38  1  0.95  0.8  0.76  1.0
  S  S39  1  0.96  0.92  0.71  1.0
  S  S40  1  0.96  0.95  0.59  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Cu Cu Cu S S S S S S S S S S S S S S S S S S S S S S S S
Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Cu Cu Cu 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 17 o o o 0 4 o o o 1 19 o o o 2 26 o - o 2 20 o o o 2 14 o - o 3 15 - - - 3 14 o - o 4 17 o o o 4 18 o + o 4 34 o o o 5 25 o o o 5 14 o o o 5 26 o o o 6 24 o o o 6 23 o o o 7 33 o o o 7 34 o o o 8 32 o o o 8 31 o o o 9 40 o o o 9 39 o o o 10 16 o o - 10 14 + o o 11 31 o o o 12 38 o o o 13 40 o o o 13 14 o o + 14 16 - o - 14 26 o o o 17 18 o + o 18 34 o - o 18 21 o - o 18 22 + o o 20 26 o - o 20 22 o o o 21 28 o o o 21 23 o o o 21 34 o o o 22 28 o - o 22 27 o - o 22 23 o - o 23 28 o o o 23 27 o o o 23 39 o o o 23 24 o o o 23 30 - o o 23 36 o o o 24 39 o o o 27 28 o o o 27 34 - o o 29 30 o o o 29 35 o o o 29 36 o o o 31 37 o o o 33 34 o o o 34 35 o o o 35 37 o o o 35 39 + o o 36 39 o o o 39 40 o o o 