data_[Rb6Au2I8]
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 [Pmn2_1]
_cell_length_a [11.0471]
_cell_length_b [12.2111]
_cell_length_c [7.3848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Rb3AuI4]
_chemical_formula_sum '[Rb6 Au2 I8]'
_cell_volume [996.1832]
_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  4  0.2456  0.6558  0.4317  1.0
  Rb  Rb1  2  0.0000  0.1362  0.4295  1.0
  Au  Au2  2  0.0000  0.7085  0.0464  1.0
  I  I3  4  0.2264  0.6499  0.9301  1.0
  I  I4  2  0.0000  0.1702  0.9299  1.0
  I  I5  2  0.0000  0.8401  0.3555  1.0
]