data_[Rb4Tl2N2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.0895]
_cell_length_b [8.0895]
_cell_length_c [9.0939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Rb2TlNCl6]
_chemical_formula_sum '[Rb4 Tl2 N2 Cl12]'
_cell_volume [595.1053]
_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
[
  Rb  Rb0  4  0.0000  0.5000  0.2500  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  N  N2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  8  0.2273  0.2273  0.0000  1
  Cl  Cl4  4  0.0000  0.0000  0.2848  1
]