data_TlPtO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   52.62
_cell_angle_beta   52.62
_cell_angle_gamma   52.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPtO3
_chemical_formula_sum   'Tl2 Pt2 O6'
_cell_volume   141.48
_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  Tl8  1  0.0  0.0  0.95  1.0
  Tl  Tl9  1  0.0  0.0  0.11  1.0
  Pt  Pt6  1  0.0  0.0  0.63  1.0
  Pt  Pt7  1  0.0  0.0  0.43  1.0
  O  O0  1  0.09  0.98  0.94  1.0
  O  O1  1  0.98  0.82  0.94  1.0
  O  O2  1  0.94  0.21  0.94  1.0
  O  O3  1  0.06  0.79  0.12  1.0
  O  O4  1  0.02  0.18  0.12  1.0
  O  O5  1  0.91  0.02  0.12  1.0

data_TlPtO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   6.23
_cell_angle_alpha   63.69
_cell_angle_beta   63.69
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlPtO3
_chemical_formula_sum   'Tl2 Pt2 O6'
_cell_volume   141.48
_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  0.0  0.42  0.08  1.0
  Pt  Pt1  2  0.0  0.1  0.4  1.0
  O  O2  2  0.02  0.59  0.97  1.0
  O  O3  2  0.18  0.59  0.71  1.0
  O  O4  2  0.21  0.41  0.95  1.0

Tl Tl Pt Pt O O O O O O
Tl Tl Pt Pt O O O O O O 0 4 o - o 0 5 - - o 0 6 - o o 0 7 o - + 1 9 - o o 1 6 - o - 1 7 o - o 1 8 o o o 2 5 - - o 2 3 o o o 3 8 o o o 4 5 - o o 4 6 - + o 4 7 o o + 5 7 + o + 6 9 o o + 6 8 + o + 7 9 - + o 8 9 - o o 