data_TlMo2Cl7O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   9.33
_cell_length_c   10.07
_cell_angle_alpha   104.7
_cell_angle_beta   90.32
_cell_angle_gamma   108.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2Cl7O2
_chemical_formula_sum   'Tl2 Mo4 Cl14 O4'
_cell_volume   605.3
_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
  Tl  Tl22  1  0.72  0.99  0.62  1.0
  Tl  Tl23  1  0.34  0.17  0.08  1.0
  Mo  Mo14  1  0.98  0.03  0.06  1.0
  Mo  Mo15  1  0.71  0.44  0.93  1.0
  Mo  Mo16  1  0.34  0.71  0.77  1.0
  Mo  Mo17  1  0.08  0.12  0.64  1.0
  Cl  Cl0  1  0.3  0.35  0.24  1.0
  Cl  Cl1  1  0.55  0.33  0.53  1.0
  Cl  Cl2  1  0.22  0.8  0.62  1.0
  Cl  Cl3  1  0.87  0.09  0.3  1.0
  Cl  Cl4  1  0.53  0.54  0.34  1.0
  Cl  Cl5  1  0.94  0.57  0.58  1.0
  Cl  Cl6  1  0.63  0.95  0.27  1.0
  Cl  Cl7  1  0.42  0.21  0.43  1.0
  Cl  Cl8  1  0.12  0.58  0.12  1.0
  Cl  Cl9  1  0.53  0.61  0.36  1.0
  Cl  Cl10  1  0.19  0.07  0.4  1.0
  Cl  Cl11  1  0.84  0.36  0.08  1.0
  Cl  Cl12  1  0.51  0.82  0.17  1.0
  Cl  Cl13  1  0.75  0.8  0.46  1.0
  O  O18  1  0.94  0.36  0.63  1.0
  O  O19  1  0.49  0.55  0.25  1.0
  O  O20  1  0.56  0.61  0.45  1.0
  O  O21  1  0.12  0.79  0.07  1.0

data_TlMo2Cl7O2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.04
_cell_length_b   9.33
_cell_length_c   10.07
_cell_angle_alpha   104.7
_cell_angle_beta   90.32
_cell_angle_gamma   108.25
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlMo2Cl7O2
_chemical_formula_sum   'Tl2 Mo4 Cl14 O4'
_cell_volume   605.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Tl  Tl0  2  0.31  0.09  0.73  1.0
  Mo  Mo1  2  0.05  0.04  0.29  1.0
  Mo  Mo2  2  0.32  0.64  0.42  1.0
  Cl  Cl3  2  0.09  0.51  0.77  1.0
  Cl  Cl4  2  0.16  0.99  0.05  1.0
  Cl  Cl5  2  0.19  0.72  0.27  1.0
  Cl  Cl6  2  0.28  0.28  0.89  1.0
  Cl  Cl7  2  0.4  0.13  0.08  1.0
  Cl  Cl8  2  0.48  0.74  0.82  1.0
  Cl  Cl9  2  0.5  0.46  0.99  1.0
  O  O10  2  0.09  0.71  0.72  1.0
  O  O11  2  0.47  0.47  0.9  1.0

Tl Tl Mo Mo Mo Mo Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O O O O
Tl Tl Mo Mo Mo Mo Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O O O O 0 19 o o o 0 5 + + o 1 2 - o o 1 6 o o o 2 9 o o o 2 23 + - o 3 17 o o + 4 8 o o o 5 20 - o o 5 16 o o o 6 21 o o o 6 10 o o o 7 13 o o o 8 11 - o o 9 12 o - o 10 15 o o o 10 21 o o o 10 22 o o o 11 20 o o o 12 18 o o o 13 16 o o o 14 17 - o o 14 23 o o o 15 19 o o o 15 21 o o o 15 22 o o o 19 22 o o o 