data_[K2Tl24Sb10]
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 [Immm]
_cell_length_a [9.9472]
_cell_length_b [10.7345]
_cell_length_c [11.3821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [KTl12Sb5]
_chemical_formula_sum '[K2 Tl24 Sb10]'
_cell_volume [1215.3454]
_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  0.0000  0.0000  0.5000  1
  Tl  Tl1  8  0.0000  0.2864  0.3231  1
  Tl  Tl2  8  0.1875  0.2747  0.0000  1
  Tl  Tl3  8  0.1948  0.0000  0.2445  1
  Sb  Sb4  4  0.0000  0.5000  0.1320  1
  Sb  Sb5  4  0.1555  0.5000  0.5000  1
  Sb  Sb6  2  0.0000  0.0000  0.0000  1
]