data_[K3Cu6Ag6Br21]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [7.2279]
_cell_length_b [7.2279]
_cell_length_c [32.4642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [KCu2Ag2Br7]
_chemical_formula_sum '[K3 Cu6 Ag6 Br21]'
_cell_volume [1468.8045]
_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
[
  K  K0  3  0.0000  0.0000  0.5000  1.0
  Cu  Cu1  6  0.0000  0.0000  0.0743  1.0
  Ag  Ag2  6  0.0000  0.0000  0.2435  1.0
  Br  Br3  18  0.0008  0.3586  0.7595  1.0
  Br  Br4  3  0.0000  0.0000  0.0000  1.0
]