data_[K8Cu8Br20]
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 [Ima2]
_cell_length_a [21.9248]
_cell_length_b [7.1169]
_cell_length_c [7.1161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [K2Cu2Br5]
_chemical_formula_sum '[K8 Cu8 Br20]'
_cell_volume [1110.3727]
_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
[
  K  K0  8  0.1112  0.0069  0.5054  1.0
  Cu  Cu1  4  0.0000  0.0000  0.0102  1.0
  Cu  Cu2  4  0.2500  0.5830  0.4648  1.0
  Br  Br3  8  0.0021  0.7489  0.2592  1.0
  Br  Br4  8  0.1460  0.0205  0.0242  1.0
  Br  Br5  4  0.2500  0.6006  0.1114  1.0
]