data_[K1Cu2Pb1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.1427]
_cell_length_b [7.3676]
_cell_length_c [8.8465]
_cell_angle_alpha [92.0642]
_cell_angle_beta [112.6337]
_cell_angle_gamma [117.5566]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KCu2PbBr6]
_chemical_formula_sum '[K1 Cu2 Pb1 Br6]'
_cell_volume [367.6714]
_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  0.0184  0.5138  0.5213  1.0
  Cu  Cu1  1  0.5007  0.7469  0.2412  1.0
  Cu  Cu2  1  0.5328  0.2848  0.7976  1.0
  Pb  Pb3  1  0.0186  0.0162  0.0210  1.0
  Br  Br4  1  0.1852  0.7699  0.2508  1.0
  Br  Br5  1  0.2314  0.9663  0.7950  1.0
  Br  Br6  1  0.4758  0.4232  0.2649  1.0
  Br  Br7  1  0.5636  0.6109  0.7732  1.0
  Br  Br8  1  0.7958  0.0662  0.2383  1.0
  Br  Br9  1  0.8529  0.2649  0.7941  1.0
]