data_[Rb4Tl6Ag2I12]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7201]
_cell_length_b [14.8839]
_cell_length_c [8.7597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Tl3AgI6]
_chemical_formula_sum '[Rb4 Tl6 Ag2 I12]'
_cell_volume [1067.5169]
_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  0.3374  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1711  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  2  0.0000  0.0000  0.0000  1.0
  I  I4  8  0.2152  0.1440  0.2270  1.0
  I  I5  4  0.2259  0.0000  0.7318  1.0
]