data_[K3Rb1Tl8]
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 [P3m1]
_cell_length_a [6.9932]
_cell_length_b [6.9932]
_cell_length_c [10.5406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [K3RbTl8]
_chemical_formula_sum '[K3 Rb1 Tl8]'
_cell_volume [446.4219]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0571  1.0
  Rb  Rb1  1  0.0000  0.0000  0.4400  1.0
  K  K2  1  0.6667  0.3333  0.5597  1.0
  K  K3  1  0.6667  0.3333  0.9406  1.0
  Tl  Tl4  3  0.1672  0.3344  0.7521  1.0
  Tl  Tl5  3  0.5013  0.0025  0.2483  1.0
  Tl  Tl6  1  0.3333  0.6667  0.0020  1.0
  Tl  Tl7  1  0.3333  0.6667  0.4994  1.0
]