data_[K3Na6Tm3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.1561]
_cell_length_b [8.1561]
_cell_length_c [22.3147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KNa2TmI6]
_chemical_formula_sum '[K3 Na6 Tm3 I18]'
_cell_volume [1285.5457]
_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
[
  K  K0  3  0.0000  0.0000  0.1856  1.0
  Na  Na1  3  0.0000  0.0000  0.4833  1.0
  Na  Na2  3  0.0000  0.0000  0.9962  1.0
  Tm  Tm3  3  0.0000  0.0000  0.6720  1.0
  I  I4  9  0.0084  0.3157  0.7456  1.0
  I  I5  9  0.0266  0.6340  0.2550  1.0
]