data_[K3Tm3Tl6Cl18]
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 [7.7715]
_cell_length_b [7.7715]
_cell_length_c [19.5660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KTm(TlCl3)2]
_chemical_formula_sum '[K3 Tm3 Tl6 Cl18]'
_cell_volume [1023.3998]
_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  0.1855  1.0
  Tm  Tm1  3  0.0000  0.0000  0.6785  1.0
  Tl  Tl2  3  0.0000  0.0000  0.4659  1.0
  Tl  Tl3  3  0.0000  0.0000  0.9718  1.0
  Cl  Cl4  9  0.0236  0.4191  0.4169  1.0
  Cl  Cl5  9  0.0873  0.7042  0.2619  1.0
]