data_Rb2TlCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.66
_cell_length_b   10.49
_cell_length_c   7.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2TlCl5O
_chemical_formula_sum   'Rb8 Tl4 Cl20 O4'
_cell_volume   1131.55
_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
  Rb  Rb0  1  0.72  0.11  0.4  1.0
  Rb  Rb1  1  0.89  0.14  0.45  1.0
  Rb  Rb2  1  0.94  0.35  0.5  1.0
  Rb  Rb3  1  0.77  0.38  0.45  1.0
  Rb  Rb4  1  0.94  0.38  0.5  1.0
  Rb  Rb5  1  0.77  0.35  0.45  1.0
  Rb  Rb6  1  0.72  0.14  0.4  1.0
  Rb  Rb7  1  0.89  0.11  0.45  1.0
  Tl  Tl8  1  0.16  0.87  0.8  1.0
  Tl  Tl9  1  0.33  0.87  0.05  1.0
  Tl  Tl10  1  0.5  0.62  0.1  1.0
  Tl  Tl11  1  0.33  0.62  0.85  1.0
  Cl  Cl12  1  0.18  0.87  0.72  1.0
  Cl  Cl13  1  0.01  0.87  0.13  1.0
  Cl  Cl14  1  0.48  0.62  0.18  1.0
  Cl  Cl15  1  0.65  0.62  0.77  1.0
  Cl  Cl16  1  0.04  0.87  0.2  1.0
  Cl  Cl17  1  0.21  0.87  0.65  1.0
  Cl  Cl18  1  0.62  0.62  0.7  1.0
  Cl  Cl19  1  0.45  0.62  0.25  1.0
  Cl  Cl20  1  0.7  0.87  0.34  1.0
  Cl  Cl21  1  0.86  0.87  0.61  1.0
  Cl  Cl22  1  0.97  0.62  0.56  1.0
  Cl  Cl23  1  0.8  0.62  0.28  1.0
  Cl  Cl24  1  0.27  0.33  0.48  1.0
  Cl  Cl25  1  0.44  0.4  0.37  1.0
  Cl  Cl26  1  0.39  0.09  0.42  1.0
  Cl  Cl27  1  0.22  0.16  0.53  1.0
  Cl  Cl28  1  0.39  0.16  0.42  1.0
  Cl  Cl29  1  0.22  0.09  0.53  1.0
  Cl  Cl30  1  0.27  0.4  0.48  1.0
  Cl  Cl31  1  0.44  0.33  0.37  1.0
  O  O32  1  0.06  0.87  0.67  1.0
  O  O33  1  0.23  0.87  0.28  1.0
  O  O34  1  0.6  0.62  0.23  1.0
  O  O35  1  0.43  0.62  0.62  1.0

data_Rb2TlCl5O
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.9
_cell_length_b   10.49
_cell_length_c   13.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Rb2TlCl5O
_chemical_formula_sum   'Rb8 Tl4 Cl20 O4'
_cell_volume   1131.55
_cell_formula_units_Z   4
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
  Rb  Rb0  2  0.45  0.36  0.89  1.0
  Rb  Rb1  2  0.45  0.39  0.89  1.0
  Rb  Rb2  2  0.5  0.36  0.06  1.0
  Rb  Rb3  2  0.5  0.39  0.06  1.0
  Tl  Tl4  2  0.1  0.12  0.5  1.0
  Tl  Tl5  2  0.15  0.88  0.67  1.0
  Cl  Cl6  2  0.18  0.12  0.18  1.0
  Cl  Cl7  2  0.23  0.88  0.65  1.0
  Cl  Cl8  2  0.25  0.12  0.21  1.0
  Cl  Cl9  2  0.3  0.88  0.62  1.0
  Cl  Cl10  2  0.34  0.88  0.97  1.0
  Cl  Cl11  2  0.39  0.12  0.86  1.0
  Cl  Cl12  2  0.42  0.59  0.61  1.0
  Cl  Cl13  2  0.42  0.66  0.61  1.0
  Cl  Cl14  2  0.47  0.34  0.56  1.0
  Cl  Cl15  2  0.47  0.41  0.56  1.0
  O  O16  2  0.28  0.88  0.77  1.0
  O  O17  2  0.33  0.12  0.4  1.0

Rb Rb Rb Rb Rb Rb Rb Rb Tl Tl Tl Tl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O O O O
Rb Rb Rb Rb Rb Rb Rb Rb Tl Tl Tl Tl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O O O O 0 6 o o o 0 20 o - o 1 7 o o o 1 21 o - o 2 4 o o o 2 22 o o o 3 5 o o o 3 23 o o o 4 22 o o o 5 23 o o o 6 20 o - o 7 21 o - o 8 12 o o o 8 32 o o o 9 33 o o o 10 14 o o o 10 34 o o o 11 35 o o o 12 17 o o o 12 32 o o o 13 16 o o o 14 19 o o o 14 34 o o o 15 18 o o o 20 34 o o o 20 23 o o o 20 21 o o o 21 22 o o o 21 32 + o o 22 23 o o o 22 32 + o o 23 34 o o o 24 30 o o o 25 31 o o o 26 28 o o o 27 29 o o o 