data_[K2Cu2Pb2Br8]
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 [P2_1/m]
_cell_length_a [6.9002]
_cell_length_b [7.6947]
_cell_length_c [9.1120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCuPbBr4]
_chemical_formula_sum '[K2 Cu2 Pb2 Br8]'
_cell_volume [459.0867]
_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  2  0.2489  0.2500  0.0594  1.0
  Cu  Cu1  2  0.2074  0.7500  0.3176  1.0
  Pb  Pb2  2  0.2173  0.2500  0.5536  1.0
  Br  Br3  4  0.0149  0.5081  0.7340  1.0
  Br  Br4  2  0.4295  0.7500  0.1469  1.0
  Br  Br5  2  0.4434  0.7500  0.5861  1.0
]