data_[K2Cd1Pb1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [7.9435]
_cell_length_b [7.9435]
_cell_length_c [6.3600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [K2CdPbBr6]
_chemical_formula_sum '[K2 Cd1 Pb1 Br6]'
_cell_volume [401.3077]
_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  2  0.0000  0.5000  0.0202  1.0
  Cd  Cd1  1  0.0000  0.0000  0.5913  1.0
  Pb  Pb2  1  0.5000  0.5000  0.6133  1.0
  Br  Br3  4  0.2383  0.2383  0.7148  1.0
  Br  Br4  1  0.0000  0.0000  0.1825  1.0
  Br  Br5  1  0.5000  0.5000  0.1600  1.0
]