data_[Rb2Hg1Pb1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.4679]
_cell_length_b [8.7811]
_cell_length_c [9.0128]
_cell_angle_alpha [118.0525]
_cell_angle_beta [102.9842]
_cell_angle_gamma [104.1890]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb2HgPbI6]
_chemical_formula_sum '[Rb2 Hg1 Pb1 I6]'
_cell_volume [526.1851]
_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  1  0.4232  0.9676  0.4799  1.0
  Rb  Rb1  1  0.7619  0.7868  0.9104  1.0
  Hg  Hg2  1  0.1603  0.5148  0.7101  1.0
  Pb  Pb3  1  0.5504  0.3607  0.1618  1.0
  I  I4  1  0.2308  0.2576  0.7976  1.0
  I  I5  1  0.2525  0.8887  0.0160  1.0
  I  I6  1  0.3378  0.5320  0.4805  1.0
  I  I7  1  0.7481  0.7747  0.3132  1.0
  I  I8  1  0.7706  0.2260  0.9490  1.0
  I  I9  1  0.7795  0.3681  0.5199  1.0
]