data_[Tl2N2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.9795]
_cell_length_b [7.1131]
_cell_length_c [3.6808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlNO2]
_chemical_formula_sum '[Tl2 N2 O4]'
_cell_volume [155.6667]
_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  2  0.0669  0.0000  0.8807  1.0
  N  N1  2  0.0580  0.5000  0.5497  1.0
  O  O2  4  0.4419  0.1470  0.5348  1.0
]