data_TaTl(CuS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52
_cell_length_b   9.82
_cell_length_c   9.82
_cell_angle_alpha   147.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl(CuS2)2
_chemical_formula_sum   'Ta2 Tl2 Cu4 S8'
_cell_volume   394.64
_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
  Ta  Ta12  1  0.88  0.94  0.76  1.0
  Ta  Ta13  1  0.64  0.06  0.76  1.0
  Tl  Tl14  1  0.88  0.42  0.84  1.0
  Tl  Tl15  1  0.64  0.58  0.84  1.0
  Cu  Cu8  1  0.64  0.56  0.77  1.0
  Cu  Cu9  1  0.0  0.0  0.85  1.0
  Cu  Cu10  1  0.88  0.44  0.77  1.0
  Cu  Cu11  1  0.76  0.0  0.85  1.0
  S  S0  1  0.75  0.04  0.12  1.0
  S  S1  1  0.77  0.96  0.12  1.0
  S  S2  1  0.01  0.04  0.12  1.0
  S  S3  1  0.5  0.96  0.12  1.0
  S  S4  1  0.88  0.13  0.36  1.0
  S  S5  1  0.64  0.13  0.44  1.0
  S  S6  1  0.88  0.87  0.44  1.0
  S  S7  1  0.64  0.87  0.36  1.0

data_TaTl(CuS2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.58
_cell_length_b   7.52
_cell_length_c   9.82
_cell_angle_alpha   90.0
_cell_angle_beta   106.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl(CuS2)2
_chemical_formula_sum   'Ta2 Tl2 Cu4 S8'
_cell_volume   394.64
_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
  Ta  Ta0  1  0.76  0.12  0.82  1.0
  Ta  Ta1  1  0.76  0.36  0.71  1.0
  Tl  Tl2  1  0.84  0.12  0.42  1.0
  Tl  Tl3  1  0.84  0.36  0.26  1.0
  Cu  Cu4  1  0.77  0.12  0.33  1.0
  Cu  Cu5  1  0.77  0.36  0.2  1.0
  Cu  Cu6  1  0.85  0.0  0.85  1.0
  Cu  Cu7  1  0.85  0.24  0.85  1.0
  S  S8  1  0.12  0.23  0.16  1.0
  S  S9  1  0.12  0.25  0.08  1.0
  S  S10  1  0.12  0.5  0.16  1.0
  S  S11  1  0.12  0.99  0.08  1.0
  S  S12  1  0.36  0.12  0.23  1.0
  S  S13  1  0.36  0.36  0.5  1.0
  S  S14  1  0.44  0.12  0.57  1.0
  S  S15  1  0.44  0.36  0.32  1.0

Ta Ta Tl Tl Cu Cu Cu Cu S S S S S S S S
Ta Ta Tl Tl Cu Cu Cu Cu S S S S S S S S 0 7 o + o 0 5 + + o 1 7 o o o 2 6 o o o 3 4 o o o 3 11 o o + 3 13 o o o 4 11 o o + 4 13 o o o 5 10 o o + 8 9 o - o 8 10 + o o 8 11 o - o 8 12 o o o 9 10 + + o 9 11 o o o 9 12 o + o 9 13 o + o 10 12 - o o 11 13 o + o 12 13 o o o 13 15 o - o 14 15 o o o 