data_[Rb4Au4I12]
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 [P2_1/c]
_cell_length_a [7.6537]
_cell_length_b [9.7744]
_cell_length_c [13.9201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbAuI3]
_chemical_formula_sum '[Rb4 Au4 I12]'
_cell_volume [894.1163]
_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  0.2020  0.1116  0.7516  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  2  0.5000  0.0000  0.5000  1.0
  I  I3  4  0.1903  0.1584  0.4721  1.0
  I  I4  4  0.2507  0.6544  0.4744  1.0
  I  I5  4  0.3285  0.5136  0.7750  1.0
]