data_[Rb4Sn2Au2I12]
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 [P2_1/c]
_cell_length_a [8.3098]
_cell_length_b [8.4676]
_cell_length_c [14.5929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2SnAuI6]
_chemical_formula_sum '[Rb4 Sn2 Au2 I12]'
_cell_volume [847.5172]
_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  0.2672  0.5510  0.7513  1.0
  Sn  Sn1  2  0.0000  0.0000  0.5000  1.0
  Au  Au2  2  0.5000  0.0000  0.0000  1.0
  I  I3  4  0.1954  0.5022  0.2516  1.0
  I  I4  4  0.2466  0.2086  0.0277  1.0
  I  I5  4  0.3206  0.7198  0.0294  1.0
]