data_[K8Cu4Ag4Br20]
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 [Cmc2_1]
_cell_length_a [4.1449]
_cell_length_b [20.8627]
_cell_length_c [13.1166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2CuAgBr5]
_chemical_formula_sum '[K8 Cu4 Ag4 Br20]'
_cell_volume [1134.2386]
_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  4  0.0000  0.1144  0.3101  1.0
  K  K1  4  0.0000  0.1239  0.6798  1.0
  Cu  Cu2  4  0.0000  0.4388  0.4374  1.0
  Ag  Ag3  4  0.0000  0.2194  0.0325  1.0
  Br  Br4  4  0.0000  0.0323  0.0247  1.0
  Br  Br5  4  0.0000  0.2878  0.6743  1.0
  Br  Br6  4  0.0000  0.3243  0.4000  1.0
  Br  Br7  4  0.0000  0.3492  0.9941  1.0
  Br  Br8  4  0.0000  0.4897  0.2711  1.0
]