data_[K8Rb16Tl8]
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 [Cmce]
_cell_length_a [11.0677]
_cell_length_b [22.3310]
_cell_length_c [8.3724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [KRb2Tl]
_chemical_formula_sum '[K8 Rb16 Tl8]'
_cell_volume [2069.2665]
_cell_formula_units_Z [8]
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  8  0.0000  0.1464  0.7264  1.0
  K  K1  8  0.1919  0.0000  0.0000  1.0
  Rb  Rb2  8  0.2500  0.1702  0.2500  1.0
  Tl  Tl3  8  0.0000  0.0410  0.3550  1.0
]