data_[K9Cu6Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1016]
_cell_length_b [7.1016]
_cell_length_c [29.4476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3(CuBr4)2]
_chemical_formula_sum '[K9 Cu6 Br24]'
_cell_volume [1286.1441]
_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  6  0.0000  0.0000  0.2091  1.0
  K  K1  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  6  0.0000  0.0000  0.4000  1.0
  Br  Br3  18  0.0136  0.5068  0.7696  1.0
  Br  Br4  6  0.0000  0.0000  0.3202  1.0
]