data_Tl5NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   11.56
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   93.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5NO5
_chemical_formula_sum   'Tl5 N1 O5'
_cell_volume   254.77
_cell_formula_units_Z   1
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  0.51  0.78  0.7  1.0
  Tl  Tl1  1  0.39  0.55  0.78  1.0
  Tl  Tl2  1  0.3  0.73  0.39  1.0
  Tl  Tl3  1  0.39  0.0  0.78  1.0
  Tl  Tl4  1  0.3  0.82  0.39  1.0
  N  N5  1  0.5  0.0  0.03  1.0
  O  O6  1  0.06  0.0  0.68  1.0
  O  O7  1  0.75  0.61  0.2  1.0
  O  O8  1  0.29  0.0  0.14  1.0
  O  O9  1  0.75  0.94  0.2  1.0
  O  O10  1  0.03  0.0  0.65  1.0

data_Tl5NO5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   5.64
_cell_length_c   11.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5NO5
_chemical_formula_sum   'Tl5 N1 O5'
_cell_volume   254.77
_cell_formula_units_Z   1
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  0.49  0.3  0.22  1.0
  Tl  Tl1  1  0.61  0.22  0.45  1.0
  Tl  Tl2  1  0.61  0.22  1.0  1.0
  Tl  Tl3  1  0.7  0.61  0.18  1.0
  Tl  Tl4  1  0.7  0.61  0.27  1.0
  N  N5  1  0.5  0.97  0.0  1.0
  O  O6  1  0.25  0.8  0.06  1.0
  O  O7  1  0.25  0.8  0.39  1.0
  O  O8  1  0.71  0.86  0.0  1.0
  O  O9  1  0.94  0.32  0.0  1.0
  O  O10  1  0.97  0.35  0.0  1.0

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