data_[In6Sn9Hg3Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3746]
_cell_length_b [8.3746]
_cell_length_c [26.7828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [In2Sn3HgCl8]
_chemical_formula_sum '[In6 Sn9 Hg3 Cl24]'
_cell_volume [1626.7182]
_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  0.1303  1.0
  In  In1  3  0.0000  0.0000  0.4759  1.0
  Sn  Sn2  9  0.1688  0.3376  0.3312  1.0
  Hg  Hg3  3  0.0000  0.0000  0.8522  1.0
  Cl  Cl4  9  0.0279  0.5140  0.2779  1.0
  Cl  Cl5  9  0.1735  0.3470  0.0723  1.0
  Cl  Cl6  3  0.0000  0.0000  0.2680  1.0
  Cl  Cl7  3  0.0000  0.0000  0.7223  1.0
]