data_[In18Sn6Hg9]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4414]
_cell_length_b [3.4414]
_cell_length_c [86.4711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [In6Sn2Hg3]
_chemical_formula_sum '[In18 Sn6 Hg9]'
_cell_volume [886.8943]
_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  6  0.0000  0.0000  0.0885  1
  In  In1  6  0.0000  0.0000  0.1824  1
  In  In2  6  0.0000  0.0000  0.3628  1
  Sn  Sn3  6  0.0000  0.0000  0.4531  1
  Hg  Hg4  6  0.0000  0.0000  0.2746  1
  Hg  Hg5  3  0.0000  0.0000  0.0000  1
]