data_[K2Rb2Cu4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I222]
_cell_length_a [8.4391]
_cell_length_b [8.7969]
_cell_length_c [9.1744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [23]
_chemical_formula_structural [KRb(CuI2)2]
_chemical_formula_sum '[K2 Rb2 Cu4 I8]'
_cell_volume [681.0888]
_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
[
  Rb  Rb0  2  0.0000  0.0000  0.0000  1.0
  K  K1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  4  0.0000  0.5000  0.1421  1.0
  I  I3  8  0.2048  0.3108  0.8039  1.0
]