data_[K4Tl4Ag4]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0023]
_cell_length_b [7.7021]
_cell_length_c [8.3818]
_cell_angle_alpha [73.8713]
_cell_angle_beta [83.2350]
_cell_angle_gamma [69.6901]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KTlAg]
_chemical_formula_sum '[K4 Tl4 Ag4]'
_cell_volume [407.1462]
_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  1  0.1647  0.4120  0.0787  1.0
  K  K1  1  0.1800  0.8537  0.1872  1.0
  K  K2  1  0.4233  0.2087  0.6915  1.0
  K  K3  1  0.8158  0.6393  0.4984  1.0
  Tl  Tl4  1  0.2976  0.7385  0.6601  1.0
  Tl  Tl5  1  0.6118  0.6522  0.9493  1.0
  Tl  Tl6  1  0.6863  0.2666  0.2651  1.0
  Tl  Tl7  1  0.8688  0.2383  0.8564  1.0
  Ag  Ag8  1  0.4032  0.0384  0.3811  1.0
  Ag  Ag9  1  0.6528  0.9724  0.0949  1.0
  Ag  Ag10  1  0.9031  0.8554  0.8227  1.0
  Ag  Ag11  1  0.9925  0.1244  0.5221  1.0
]