data_[K2Zn1Pb1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.1922]
_cell_length_b [8.2732]
_cell_length_c [8.3071]
_cell_angle_alpha [108.1803]
_cell_angle_beta [102.6895]
_cell_angle_gamma [114.9963]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2ZnPbBr6]
_chemical_formula_sum '[K2 Zn1 Pb1 Br6]'
_cell_volume [388.5497]
_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  0.8058  0.0773  0.8433  1.0
  K  K1  1  0.9658  0.5189  0.4862  1.0
  Zn  Zn2  1  0.4478  0.3015  0.8313  1.0
  Pb  Pb3  1  0.3769  0.8438  0.1994  1.0
  Br  Br4  1  0.2326  0.9892  0.8476  1.0
  Br  Br5  1  0.2373  0.4685  0.8384  1.0
  Br  Br6  1  0.4581  0.6758  0.4344  1.0
  Br  Br7  1  0.5103  0.2280  0.5436  1.0
  Br  Br8  1  0.8209  0.5099  0.0800  1.0
  Br  Br9  1  0.8214  0.0487  0.2343  1.0
]