data_[K2Tl8Sb2]
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 [Pmma]
_cell_length_a [10.4528]
_cell_length_b [4.5419]
_cell_length_c [8.9567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [KTl4Sb]
_chemical_formula_sum '[K2 Tl8 Sb2]'
_cell_volume [425.2217]
_cell_formula_units_Z [2]
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  2  0.2500  0.0000  0.3572  1.0
  Tl  Tl1  4  0.0399  0.5000  0.6927  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  2  0.2500  0.5000  0.0230  1.0
  Sb  Sb4  2  0.2500  0.0000  0.7499  1.0
]