data_[K12Tl4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6511]
_cell_length_b [11.5390]
_cell_length_c [7.9735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3TlAu3]
_chemical_formula_sum '[K12 Tl4 Au12]'
_cell_volume [979.6589]
_cell_formula_units_Z [4]
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  4  0.0000  0.1566  0.5000  1
  K  K1  4  0.0000  0.2637  0.0000  1
  K  K2  4  0.1675  0.5000  0.6386  1
  Tl  Tl3  4  0.2348  0.0000  0.8771  1
  Au  Au4  8  0.2279  0.2988  0.3350  1
  Au  Au5  4  0.0551  0.0000  0.1649  1
]