data_[Rb4Tl4Cu8I24]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.9265]
_cell_length_b [14.4164]
_cell_length_c [11.3205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbTl(CuI3)2]
_chemical_formula_sum '[Rb4 Tl4 Cu8 I24]'
_cell_volume [1848.4368]
_cell_formula_units_Z [4]
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  0.0936  0.7500  1.0
  Tl  Tl1  4  0.0000  0.4928  0.7500  1.0
  Cu  Cu2  8  0.2091  0.1464  0.1454  1.0
  I  I3  8  0.1057  0.2959  0.0980  1.0
  I  I4  8  0.1364  0.3060  0.6524  1.0
  I  I5  8  0.1997  0.0129  0.5648  1.0
]