data_[Rb4Bi2Au2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Bi  2.0200  1.6000  1.0350
  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 [8.6238]
_cell_length_b [13.0872]
_cell_length_c [11.4161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2BiAuI6]
_chemical_formula_sum '[Rb4 Bi2 Au2 I12]'
_cell_volume [1012.4936]
_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  0.1446  0.6927  0.4332  1.0
  Bi  Bi1  2  0.5000  0.0000  0.5000  1.0
  Au  Au2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.0977  0.5719  0.7133  1.0
  I  I4  4  0.3485  0.2220  0.4448  1.0
  I  I5  4  0.3648  0.5528  0.1975  1.0
]