data_[K4Tl2Pb2Br12]
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
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8677]
_cell_length_b [8.3558]
_cell_length_c [13.8081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5121]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2TlPbBr6]
_chemical_formula_sum '[K4 Tl2 Pb2 Br12]'
_cell_volume [747.9973]
_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  4  0.2196  0.5817  0.7499  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1306  0.6956  0.4364  1.0
  Br  Br4  4  0.2460  0.1998  0.4373  1.0
  Br  Br5  4  0.3746  0.5407  0.2514  1.0
]