data_[K6Cu4I8Br4]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.3608]
_cell_length_b [5.3608]
_cell_length_c [28.1206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [K3Cu2(I2Br)2]
_chemical_formula_sum '[K6 Cu4 I8 Br4]'
_cell_volume [808.1354]
_cell_formula_units_Z [2]
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  0.0000  0.1837  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0000  0.0000  0.3892  1
  I  I3  8  0.0000  0.5000  0.0871  1
  Br  Br4  4  0.0000  0.0000  0.3002  1
]