data_[Rb4Hg4Pb4I12]
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 [C2/m]
_cell_length_a [9.3682]
_cell_length_b [8.9491]
_cell_length_c [13.6887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbHgPbI3]
_chemical_formula_sum '[Rb4 Hg4 Pb4 I12]'
_cell_volume [1126.0658]
_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  0.1825  0.5000  0.2941  1.0
  Hg  Hg1  4  0.0000  0.1940  0.5000  1.0
  Pb  Pb2  4  0.1897  0.0000  0.1236  1.0
  I  I3  8  0.0827  0.2308  0.8639  1.0
  I  I4  4  0.2288  0.5000  0.6497  1.0
]