data_[K8Na4Cu4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2501]
_cell_length_b [19.9219]
_cell_length_c [13.6887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2NaCuBr5]
_chemical_formula_sum '[K8 Na4 Cu4 Br20]'
_cell_volume [1159.0072]
_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  0.1259  0.3307  1.0
  K  K1  4  0.0000  0.1326  0.6874  1.0
  Na  Na2  4  0.0000  0.2068  0.0365  1.0
  Cu  Cu3  4  0.0000  0.4395  0.4230  1.0
  Br  Br4  4  0.0000  0.0416  0.0089  1.0
  Br  Br5  4  0.0000  0.3015  0.6803  1.0
  Br  Br6  4  0.0000  0.3218  0.3789  1.0
  Br  Br7  4  0.0000  0.3501  0.0093  1.0
  Br  Br8  4  0.0000  0.4959  0.2689  1.0
]