data_[Rb4Tl2Cu4I12]
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/m]
_cell_length_a [14.4033]
_cell_length_b [7.8151]
_cell_length_c [9.9022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Tl(CuI3)2]
_chemical_formula_sum '[Rb4 Tl2 Cu4 I12]'
_cell_volume [1003.2763]
_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  0.2010  0.5000  0.2069  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0424  0.0000  0.2428  1.0
  I  I3  8  0.0728  0.2595  0.8299  1.0
  I  I4  4  0.2349  0.0000  0.3855  1.0
]