data_[Cu3Ag18Br24]
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 [R-3]
_cell_length_a [11.5983]
_cell_length_b [11.5983]
_cell_length_c [12.0057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cu(Ag3Br4)2]
_chemical_formula_sum '[Cu3 Ag18 Br24]'
_cell_volume [1398.6304]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Ag  Ag1  18  0.0365  0.2103  0.3602  1
  Br  Br2  18  0.0497  0.2765  0.6011  1
  Br  Br3  6  0.0000  0.0000  0.1877  1
]