data_[K3Rb36Tl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [16.6358]
_cell_length_b [16.6358]
_cell_length_c [14.6239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [K(Rb2Tl)6]
_chemical_formula_sum '[K3 Rb36 Tl18]'
_cell_volume [3504.9723]
_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
[
  Rb  Rb0  18  0.0126  0.2863  0.9799  1
  Rb  Rb1  18  0.0841  0.9021  0.2686  1
  K  K2  3  0.0000  0.0000  0.0000  1
  Tl  Tl3  18  0.0952  0.8935  0.5363  1
]