data_[K2Al4Tl2]
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 [Cm]
_cell_length_a [8.5366]
_cell_length_b [3.4683]
_cell_length_c [8.0273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KAl2Tl]
_chemical_formula_sum '[K2 Al4 Tl2]'
_cell_volume [235.4555]
_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  0.0028  0.5000  0.5209  1
  Al  Al1  2  0.2631  0.0000  0.8392  1
  Al  Al2  2  0.4936  0.5000  0.9556  1
  Tl  Tl3  2  0.2405  0.5000  0.1844  1
]