data_[K6Tm3Tl3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.7022]
_cell_length_b [7.7022]
_cell_length_c [19.9912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2TmTlCl6]
_chemical_formula_sum '[K6 Tm3 Tl3 Cl18]'
_cell_volume [1027.0637]
_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  0.4680  1.0
  K  K1  3  0.0000  0.0000  0.9795  1.0
  Tm  Tm2  3  0.0000  0.0000  0.6768  1.0
  Tl  Tl3  3  0.0000  0.0000  0.1883  1.0
  Cl  Cl4  9  0.0290  0.4026  0.4134  1.0
  Cl  Cl5  9  0.0743  0.6860  0.2618  1.0
]