data_[Tl6Rh4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.2262]
_cell_length_b [8.1751]
_cell_length_c [19.5707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl3Rh2N3]
_chemical_formula_sum '[Tl6 Rh4 N6]'
_cell_volume [996.1342]
_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  4  0.4957  0.2105  0.6199  1
  Tl  Tl1  2  0.2149  0.0000  0.4817  1
  Rh  Rh2  4  0.2947  0.3307  0.4898  1
  N  N3  4  0.2848  0.4293  0.3864  1
  N  N4  2  0.1270  0.5000  0.5262  1
]