data_[K16Rb6Tl2]
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 [P6_3mc]
_cell_length_a [14.5869]
_cell_length_b [14.5869]
_cell_length_c [9.1581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [K8Rb3Tl]
_chemical_formula_sum '[K16 Rb6 Tl2]'
_cell_volume [1687.5647]
_cell_formula_units_Z [2]
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  6  0.0387  0.5194  0.9821  1
  Rb  Rb1  6  0.1585  0.3170  0.7699  1
  K  K2  6  0.2109  0.4219  0.2715  1
  K  K3  2  0.0000  0.0000  0.0194  1
  K  K4  2  0.3333  0.6667  0.6406  1
  Tl  Tl5  2  0.3333  0.6667  0.0424  1
]