data_[Tl3Sb2N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.5073]
_cell_length_b [21.9285]
_cell_length_c [6.2676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl3Sb2N3]
_chemical_formula_sum '[Tl3 Sb2 N3]'
_cell_volume [476.5877]
_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  2  0.5768  0.1580  0.3044  1
  Tl  Tl1  1  0.7330  0.0000  0.2873  1
  Sb  Sb2  2  0.2306  0.0740  0.7718  1
  N  N3  2  0.1350  0.0916  0.4600  1
  N  N4  1  0.8533  0.0000  0.8189  1
]