data_[Cu8Ag8Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [18.2677]
_cell_length_b [6.9136]
_cell_length_c [7.2577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Cu2Ag2Br5]
_chemical_formula_sum '[Cu8 Ag8 Br20]'
_cell_volume [916.6158]
_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  4  0.0000  0.0000  0.9706  1.0
  Cu  Cu1  4  0.2500  0.5429  0.5432  1.0
  Ag  Ag2  8  0.1253  0.5008  0.0508  1.0
  Br  Br3  8  0.0371  0.7466  0.7194  1.0
  Br  Br4  8  0.1405  0.1266  0.9513  1.0
  Br  Br5  4  0.2500  0.6355  0.8793  1.0
]