data_[Rb4Au2I8]
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/m]
_cell_length_a [8.7842]
_cell_length_b [7.1208]
_cell_length_c [10.5879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Rb2AuI4]
_chemical_formula_sum '[Rb4 Au2 I8]'
_cell_volume [633.3975]
_cell_formula_units_Z [2]
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  2  0.2193  0.7500  0.4283  1.0
  Rb  Rb1  2  0.2395  0.7500  0.9385  1.0
  Au  Au2  2  0.2490  0.2500  0.1875  1.0
  I  I3  4  0.4968  0.0126  0.7404  1.0
  I  I4  2  0.0873  0.2500  0.3770  1.0
  I  I5  2  0.1068  0.2500  0.9199  1.0
]