data_[K12Tl4Ag4]
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 [C2/m]
_cell_length_a [12.9896]
_cell_length_b [10.7419]
_cell_length_c [8.7704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.8442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3TlAg]
_chemical_formula_sum '[K12 Tl4 Ag4]'
_cell_volume [925.7655]
_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  8  0.2141  0.1934  0.2507  1.0
  K  K1  4  0.0546  0.5000  0.8343  1.0
  Tl  Tl2  4  0.0692  0.0000  0.7622  1.0
  Ag  Ag3  4  0.2124  0.0000  0.6037  1.0
]