data_[K12Tl16Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0255]
_cell_length_b [13.3324]
_cell_length_c [8.9246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K3(Tl2Sb)2]
_chemical_formula_sum '[K12 Tl16 Sb8]'
_cell_volume [1417.5915]
_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  0.1629  0.0920  0.5454  1.0
  K  K1  4  0.0000  0.3920  0.2500  1.0
  Tl  Tl2  8  0.1103  0.3457  0.6702  1.0
  Tl  Tl3  8  0.1215  0.1812  0.0224  1.0
  Sb  Sb4  8  0.1655  0.4112  0.0252  1.0
]