data_[Rb8Au8I24]
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 [18.6631]
_cell_length_b [12.8150]
_cell_length_c [9.0095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbAuI3]
_chemical_formula_sum '[Rb8 Au8 I24]'
_cell_volume [2073.0297]
_cell_formula_units_Z [8]
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  8  0.1076  0.3221  0.1596  1.0
  Au  Au1  4  0.0000  0.0761  0.2500  1.0
  Au  Au2  4  0.0000  0.3920  0.7500  1.0
  I  I3  8  0.0956  0.3889  0.5890  1.0
  I  I4  8  0.1326  0.0827  0.4341  1.0
  I  I5  8  0.2134  0.1502  0.9670  1.0
]