data_[K2Tl2Cd2Br8]
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 [P2_1/m]
_cell_length_a [7.8477]
_cell_length_b [7.7700]
_cell_length_c [9.1336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTlCdBr4]
_chemical_formula_sum '[K2 Tl2 Cd2 Br8]'
_cell_volume [530.5550]
_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  0.2217  0.7500  0.5609  1.0
  Tl  Tl1  2  0.2454  0.7500  0.0601  1.0
  Cd  Cd2  2  0.2436  0.2500  0.3052  1.0
  Br  Br3  4  0.0073  0.5054  0.2473  1.0
  Br  Br4  2  0.4361  0.2500  0.1171  1.0
  Br  Br5  2  0.4405  0.2500  0.5942  1.0
]