data_[K10Al2Tl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2509]
_cell_length_b [16.4071]
_cell_length_c [8.7135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K5AlTl6]
_chemical_formula_sum '[K10 Al2 Tl12]'
_cell_volume [979.1856]
_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  4  0.0000  0.2942  0.5000  1
  K  K1  4  0.0000  0.3588  0.0000  1
  K  K2  2  0.0000  0.0000  0.5000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  Tl  Tl4  8  0.0729  0.1500  0.1874  1
  Tl  Tl5  4  0.1293  0.5000  0.7042  1
]