data_[K2Na28Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [12.2159]
_cell_length_b [7.6717]
_cell_length_c [12.6158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [KNa14Tl]
_chemical_formula_sum '[K2 Na28 Tl2]'
_cell_volume [1182.3163]
_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  2  0.5000  0.0000  0.0523  1
  Na  Na1  8  0.2507  0.2326  0.6270  1
  Na  Na2  4  0.0000  0.2380  0.4433  1
  Na  Na3  4  0.2337  0.0000  0.8781  1
  Na  Na4  4  0.2656  0.0000  0.3804  1
  Na  Na5  4  0.5000  0.2394  0.7997  1
  Na  Na6  2  0.0000  0.0000  0.1904  1
  Na  Na7  2  0.0000  0.0000  0.6941  1
  Tl  Tl8  2  0.5000  0.0000  0.5520  1
]