data_[K8Li4Pb4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4904]
_cell_length_b [19.0276]
_cell_length_c [14.5152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2LiPbBr5]
_chemical_formula_sum '[K8 Li4 Pb4 Br20]'
_cell_volume [1240.1983]
_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  0.0956  0.6694  1.0
  K  K1  4  0.0000  0.1249  0.3312  1.0
  Li  Li2  4  0.0000  0.4462  0.4270  1.0
  Pb  Pb3  4  0.0000  0.2039  0.0338  1.0
  Br  Br4  4  0.0000  0.0416  0.0137  1.0
  Br  Br5  4  0.0000  0.2825  0.6798  1.0
  Br  Br6  4  0.0000  0.3093  0.3892  1.0
  Br  Br7  4  0.0000  0.3584  0.0061  1.0
  Br  Br8  4  0.0000  0.4966  0.7737  1.0
]