data_[Tl2I2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8349]
_cell_length_b [5.9073]
_cell_length_c [9.2327]
_cell_angle_alpha [86.3520]
_cell_angle_beta [89.1543]
_cell_angle_gamma [64.3326]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlIN]
_chemical_formula_sum '[Tl2 I2 N2]'
_cell_volume [286.2223]
_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  0.3350  0.3067  0.6812  1.0
  I  I1  2  0.3213  0.3450  0.3199  1.0
  N  N2  2  0.0670  0.0389  0.9785  1.0
]