data_[K4Cu4Pb4Br20]
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 [C2/c]
_cell_length_a [9.0318]
_cell_length_b [13.0570]
_cell_length_c [10.7939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCuPbBr5]
_chemical_formula_sum '[K4 Cu4 Pb4 Br20]'
_cell_volume [1173.4249]
_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  0.3403  0.7500  1.0
  Cu  Cu1  4  0.0000  0.3236  0.2500  1.0
  Pb  Pb2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.0957  0.2147  0.1148  1.0
  Br  Br4  8  0.1494  0.4431  0.4243  1.0
  Br  Br5  4  0.0000  0.0915  0.7500  1.0
]