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 [C2/m]
_cell_length_a [18.5117]
_cell_length_b [5.7613]
_cell_length_c [9.6564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbAuI3]
_chemical_formula_sum '[Rb4 Au4 I12]'
_cell_volume [919.2603]
_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  0.0768  0.5000  0.3406  1
  Au  Au1  4  0.1385  0.0000  0.0105  1
  I  I2  4  0.0711  0.0000  0.7021  1
  I  I3  4  0.1341  0.5000  0.0065  1
  I  I4  4  0.2013  0.0000  0.3187  1
]