data_[Li6Tm3I3O18]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.2613]
_cell_length_b [5.2613]
_cell_length_c [14.3172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2TmIO6]
_chemical_formula_sum '[Li6 Tm3 I3 O18]'
_cell_volume [343.2255]
_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  0.4549  1.0
  Li  Li1  3  0.0000  0.0000  0.9740  1.0
  Tm  Tm2  3  0.0000  0.0000  0.1858  1.0
  I  I3  3  0.0000  0.0000  0.6783  1.0
  O  O4  9  0.0190  0.3786  0.4175  1.0
  O  O5  9  0.0467  0.6702  0.2643  1.0
]