data_[Li6Tm3Tl3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8127]
_cell_length_b [7.8127]
_cell_length_c [21.6153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2TmTlI6]
_chemical_formula_sum '[Li6 Tm3 Tl3 I18]'
_cell_volume [1142.6010]
_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
[
  Li  Li0  3  0.0000  0.0000  0.0033  1
  Li  Li1  3  0.0000  0.0000  0.5102  1
  Tm  Tm2  3  0.0000  0.0000  0.3258  1
  Tl  Tl3  3  0.0000  0.0000  0.8121  1
  I  I4  9  0.0062  0.3361  0.2557  1
  I  I5  9  0.0692  0.7271  0.0810  1
]