data_[K6Na3Tm3I18]
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 [8.4932]
_cell_length_b [8.4932]
_cell_length_c [21.3773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2NaTmI6]
_chemical_formula_sum '[K6 Na3 Tm3 I18]'
_cell_volume [1335.4442]
_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  0.4638  1.0
  K  K1  3  0.0000  0.0000  0.9704  1.0
  Na  Na2  3  0.0000  0.0000  0.1811  1.0
  Tm  Tm3  3  0.0000  0.0000  0.6765  1.0
  I  I4  9  0.0125  0.4124  0.4224  1.0
  I  I5  9  0.0790  0.7241  0.2598  1.0
]