data_[K8Tl8Au4]
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 [12.5077]
_cell_length_b [5.2726]
_cell_length_c [11.0897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Tl2Au]
_chemical_formula_sum '[K8 Tl8 Au4]'
_cell_volume [675.6831]
_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  0.1198  0.5000  0.4020  1
  K  K1  4  0.1720  0.5000  0.0331  1
  Tl  Tl2  4  0.0275  0.0000  0.1513  1
  Tl  Tl3  4  0.1013  0.0000  0.6486  1
  Au  Au4  4  0.2199  0.5000  0.7387  1
]