data_TlIO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64
_cell_length_b   7.64
_cell_length_c   7.64
_cell_angle_alpha   135.8
_cell_angle_beta   135.8
_cell_angle_gamma   64.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIO4
_chemical_formula_sum   'Tl2 I2 O8'
_cell_volume   214.14
_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  Tl10  1  0.0  0.0  0.47  1.0
  Tl  Tl11  1  0.88  0.0  0.24  1.0
  I  I0  1  0.0  0.0  0.0  1.0
  I  I1  1  0.0  0.88  0.24  1.0
  O  O2  1  0.3  0.71  0.02  1.0
  O  O3  1  0.58  0.17  0.49  1.0
  O  O4  1  0.58  0.29  0.69  1.0
  O  O5  1  0.3  0.59  0.21  1.0
  O  O6  1  0.17  0.3  0.79  1.0
  O  O7  1  0.71  0.58  0.26  1.0
  O  O8  1  0.17  0.42  0.45  1.0
  O  O9  1  0.71  0.45  0.98  1.0

data_TlIO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   7.64
_cell_angle_alpha   112.1
_cell_angle_beta   112.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIO4
_chemical_formula_sum   'Tl2 I2 O8'
_cell_volume   214.14
_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  Tl0  1  0.53  0.0  0.53  1.0
  Tl  Tl1  1  0.76  0.0  0.64  1.0
  I  I2  1  0.0  0.0  0.0  1.0
  I  I3  1  0.64  0.88  0.64  1.0
  O  O4  1  0.32  0.58  0.03  1.0
  O  O5  1  0.37  0.59  0.67  1.0
  O  O6  1  0.47  0.45  0.18  1.0
  O  O7  1  0.51  0.3  0.68  1.0
  O  O8  1  0.6  0.29  0.18  1.0
  O  O9  1  0.67  0.17  0.25  1.0
  O  O10  1  0.69  0.71  0.99  1.0
  O  O11  1  0.97  0.42  0.14  1.0

Tl Tl I I O O O O O O O O
Tl Tl I I O O O O O O O O 0 1 - o o 0 3 o - o 0 8 o o o 1 3 + - o 1 2 + o o 2 4 o - o 2 3 o - o 2 10 o o o 4 10 o o - 4 8 o o - 4 9 o o o 4 7 o o o 4 5 o + o 5 6 o o o 5 10 o o o 6 11 o o o 6 10 o o o 7 8 o o - 9 11 o o - 9 10 + o o 10 11 - o - 