data_[Tl3Cd3N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.9159]
_cell_length_b [6.1304]
_cell_length_c [22.3201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlCdN]
_chemical_formula_sum '[Tl3 Cd3 N3]'
_cell_volume [809.4912]
_cell_formula_units_Z [3]
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  0.6088  0.2434  0.5138  1
  Tl  Tl1  1  0.1190  0.5000  0.4757  1
  Cd  Cd2  2  0.8069  0.2622  0.3815  1
  Cd  Cd3  1  0.2232  0.0000  0.3980  1
  N  N4  2  0.4757  0.4092  0.7095  1
  N  N5  1  0.5777  0.0000  0.4167  1
]