data_[Rb8Li4Tl4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8755]
_cell_length_b [20.8798]
_cell_length_c [15.5620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2LiTlI5]
_chemical_formula_sum '[Rb8 Li4 Tl4 I20]'
_cell_volume [1584.1875]
_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  0.1063  0.6857  1.0
  Rb  Rb1  4  0.0000  0.1283  0.3220  1.0
  Li  Li2  4  0.0000  0.4391  0.4324  1.0
  Tl  Tl3  4  0.0000  0.2064  0.0255  1.0
  I  I4  4  0.0000  0.0505  0.0239  1.0
  I  I5  4  0.0000  0.2860  0.6686  1.0
  I  I6  4  0.0000  0.3079  0.3782  1.0
  I  I7  4  0.0000  0.3576  0.0073  1.0
  I  I8  4  0.0000  0.4975  0.7803  1.0
]