data_[In9Sn6Hg3S24]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.9641]
_cell_length_b [7.9641]
_cell_length_c [19.5362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [In3Sn2HgS8]
_chemical_formula_sum '[In9 Sn6 Hg3 S24]'
_cell_volume [1073.0961]
_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  9  0.1680  0.3361  0.3327  1.0
  Sn  Sn1  3  0.0000  0.0000  0.1237  1.0
  Sn  Sn2  3  0.0000  0.0000  0.4986  1.0
  Hg  Hg3  3  0.0000  0.0000  0.8785  1.0
  S  S4  9  0.0256  0.5128  0.2551  1.0
  S  S5  9  0.1799  0.3598  0.0748  1.0
  S  S6  3  0.0000  0.0000  0.2651  1.0
  S  S7  3  0.0000  0.0000  0.7391  1.0
]