data_TlPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   56.66
_cell_angle_beta   56.66
_cell_angle_gamma   56.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPbO3
_chemical_formula_sum   'Tl2 Pb2 O6'
_cell_volume   155.88
_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  0.27  1.0
  Tl  Tl9  1  0.0  0.0  0.3  1.0
  Pb  Pb6  1  0.0  0.0  0.6  1.0
  Pb  Pb7  1  0.0  0.0  0.97  1.0
  O  O0  1  0.07  0.81  0.46  1.0
  O  O1  1  0.13  0.89  0.46  1.0
  O  O2  1  0.8  0.3  0.46  1.0
  O  O3  1  0.2  0.7  0.11  1.0
  O  O4  1  0.87  0.11  0.11  1.0
  O  O5  1  0.93  0.19  0.11  1.0

data_TlPbO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   6.2
_cell_angle_alpha   61.67
_cell_angle_beta   61.67
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlPbO3
_chemical_formula_sum   'Tl2 Pb2 O6'
_cell_volume   155.88
_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  0.48  0.02  1.0
  Pb  Pb1  2  0.0  0.19  0.31  1.0
  O  O2  2  0.11  0.33  0.19  1.0
  O  O3  2  0.19  0.33  0.06  1.0
  O  O4  2  0.3  0.67  0.73  1.0

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