data_[Rb4Cu8Au4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6088]
_cell_length_b [16.4677]
_cell_length_c [7.5526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbCu2AuI6]
_chemical_formula_sum '[Rb4 Cu8 Au4 I24]'
_cell_volume [1679.8279]
_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
[
  Rb  Rb0  4  0.0000  0.1494  0.7500  1.0
  Cu  Cu1  8  0.2030  0.4466  0.7069  1.0
  Au  Au2  4  0.0000  0.3381  0.2500  1.0
  I  I3  8  0.1040  0.0715  0.1968  1.0
  I  I4  8  0.1267  0.3192  0.5336  1.0
  I  I5  8  0.1840  0.4195  0.0330  1.0
]