data_[Cu8Ag4Pb4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  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 [13.5246]
_cell_length_b [12.7970]
_cell_length_c [7.1120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2AgPbBr6]
_chemical_formula_sum '[Cu8 Ag4 Pb4 Br24]'
_cell_volume [1204.4286]
_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
[
  Cu  Cu0  8  0.1832  0.4235  0.2851  1.0
  Ag  Ag1  4  0.0000  0.2989  0.7500  1.0
  Pb  Pb2  4  0.0000  0.1029  0.2500  1.0
  Br  Br3  8  0.1213  0.2695  0.0968  1.0
  Br  Br4  8  0.1264  0.0881  0.6561  1.0
  Br  Br5  8  0.1443  0.4185  0.6025  1.0
]