data_[Rb4Au4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [13.5054]
_cell_length_b [12.4449]
_cell_length_c [11.7010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbAuI5]
_chemical_formula_sum '[Rb4 Au4 I20]'
_cell_volume [1697.3284]
_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  0.2608  0.2500  1.0
  Au  Au1  4  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0465  0.3961  0.0132  1.0
  I  I3  8  0.1640  0.1474  0.1002  1.0
  I  I4  4  0.0000  0.0240  0.7500  1.0
]