data_[Rb2Pb1Au1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8375]
_cell_length_b [8.4384]
_cell_length_c [8.8071]
_cell_angle_alpha [116.3756]
_cell_angle_beta [115.2500]
_cell_angle_gamma [91.9623]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2PbAuI6]
_chemical_formula_sum '[Rb2 Pb1 Au1 I6]'
_cell_volume [453.6271]
_cell_formula_units_Z [1]
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  0.2528  0.2724  0.0037  1.0
  Pb  Pb1  1  0.0000  0.5000  0.5000  1.0
  Au  Au2  1  0.5000  0.0000  0.5000  1.0
  I  I3  2  0.2090  0.8635  0.5346  1.0
  I  I4  2  0.2291  0.7003  0.9664  1.0
  I  I5  2  0.3260  0.2849  0.4793  1.0
]