data_[Rb8Sn4Au4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7248]
_cell_length_b [21.5511]
_cell_length_c [15.3779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2SnAuI5]
_chemical_formula_sum '[Rb8 Sn4 Au4 I20]'
_cell_volume [1565.8542]
_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  0.0000  0.1203  0.3351  1.0
  Rb  Rb1  4  0.0000  0.1245  0.7057  1.0
  Sn  Sn2  4  0.0000  0.2017  0.0178  1.0
  Au  Au3  4  0.0000  0.4704  0.4310  1.0
  I  I4  4  0.0000  0.0423  0.0230  1.0
  I  I5  4  0.0000  0.2954  0.3718  1.0
  I  I6  4  0.0000  0.2998  0.6611  1.0
  I  I7  4  0.0000  0.3446  0.0195  1.0
  I  I8  4  0.0000  0.4988  0.7590  1.0
]