data_[Rb6Y3Tl3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.8856]
_cell_length_b [8.8856]
_cell_length_c [22.1948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Rb2YTlI6]
_chemical_formula_sum '[Rb6 Y3 Tl3 I18]'
_cell_volume [1517.5802]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4622  1
  Rb  Rb1  3  0.0000  0.0000  0.9720  1
  Y  Y2  3  0.0000  0.0000  0.6772  1
  Tl  Tl3  3  0.0000  0.0000  0.1831  1
  I  I4  9  0.0230  0.4168  0.4201  1
  I  I5  9  0.0835  0.7136  0.2612  1
]