data_[K3Li6Tm3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2583]
_cell_length_b [7.2583]
_cell_length_c [19.9711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KLi2TmBr6]
_chemical_formula_sum '[K3 Li6 Tm3 Br18]'
_cell_volume [911.1663]
_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  0.8055  1.0
  Li  Li1  3  0.0000  0.0000  0.0101  1.0
  Li  Li2  3  0.0000  0.0000  0.5196  1.0
  Tm  Tm3  3  0.0000  0.0000  0.3237  1.0
  Br  Br4  9  0.0061  0.3363  0.2544  1.0
  Br  Br5  9  0.0807  0.7363  0.0797  1.0
]