data_[K4Li4Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2163]
_cell_length_b [5.2477]
_cell_length_c [12.1386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KLiTl]
_chemical_formula_sum '[K4 Li4 Tl4]'
_cell_volume [447.4517]
_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  4  0.1878  0.0000  0.3337  1.0
  Li  Li1  4  0.1562  0.0000  0.9521  1.0
  Tl  Tl2  4  0.0032  0.5000  0.8641  1.0
]