data_[K1Tl2Cd1]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.5659]
_cell_length_b [5.2405]
_cell_length_c [7.2973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KTl2Cd]
_chemical_formula_sum '[K1 Tl2 Cd1]'
_cell_volume [132.5888]
_cell_formula_units_Z [1]
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  1  0.5674  0.5000  0.2640  1.0
  Tl  Tl1  1  0.3271  0.5000  0.7517  1.0
  Tl  Tl2  1  0.9221  0.0000  0.9660  1.0
  Cd  Cd3  1  0.1834  0.0000  0.5184  1.0
]