data_[K4Tl8Cd4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3965]
_cell_length_b [18.5473]
_cell_length_c [17.0452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [KTl2CdBr5]
_chemical_formula_sum '[K4 Tl8 Cd4 Br20]'
_cell_volume [1389.9339]
_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  0.0000  0.4479  0.4404  1.0
  Tl  Tl1  4  0.0000  0.0666  0.6551  1.0
  Tl  Tl2  4  0.0000  0.1504  0.2593  1.0
  Cd  Cd3  4  0.0000  0.2449  0.0330  1.0
  Br  Br4  4  0.0000  0.0995  0.0674  1.0
  Br  Br5  4  0.0000  0.2435  0.6515  1.0
  Br  Br6  4  0.0000  0.2708  0.4256  1.0
  Br  Br7  4  0.0000  0.3908  0.0196  1.0
  Br  Br8  4  0.0000  0.4778  0.7723  1.0
]