data_[In6Hg3Pb9I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [R3m]
_cell_length_a [9.3659]
_cell_length_b [9.3659]
_cell_length_c [29.2205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [In2HgPb3I8]
_chemical_formula_sum '[In6 Hg3 Pb9 I24]'
_cell_volume [2219.8393]
_cell_formula_units_Z [3]
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
[
  In  In0  3  0.0000  0.0000  0.4686  1
  In  In1  3  0.0000  0.0000  0.8790  1
  Hg  Hg2  3  0.0000  0.0000  0.1494  1
  Pb  Pb3  9  0.1667  0.3335  0.3345  1
  I  I4  9  0.0107  0.5054  0.2683  1
  I  I5  9  0.1735  0.3471  0.0652  1
  I  I6  3  0.0000  0.0000  0.2731  1
  I  I7  3  0.0000  0.0000  0.7333  1
]