data_[Rb2Fe4Au2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Fe  1.8300  1.4000  0.8525
  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 [11.6726]
_cell_length_b [8.9660]
_cell_length_c [11.2436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbFe2AuI8]
_chemical_formula_sum '[Rb2 Fe4 Au2 I16]'
_cell_volume [1143.6152]
_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  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  4  0.1196  0.5000  0.7650  1.0
  Au  Au2  2  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.0078  0.2701  0.2350  1.0
  I  I4  4  0.2042  0.5000  0.5782  1.0
  I  I5  4  0.2287  0.0000  0.0192  1.0
]