data_[Cs3Hg2Pb1Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.7704]
_cell_length_b [7.7704]
_cell_length_c [9.5336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3Hg2PbCl9]
_chemical_formula_sum '[Cs3 Hg2 Pb1 Cl9]'
_cell_volume [498.5113]
_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
[
  Cs  Cs0  2  0.3333  0.6667  0.6736  1
  Cs  Cs1  1  0.0000  0.0000  0.0000  1
  Hg  Hg2  2  0.3333  0.6667  0.1592  1
  Pb  Pb3  1  0.0000  0.0000  0.5000  1
  Cl  Cl4  6  0.1712  0.3424  0.3259  1
  Cl  Cl5  3  0.0000  0.5000  0.0000  1
]