data_[In18Hg9Bi6]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8328]
_cell_length_b [4.8328]
_cell_length_c [48.4919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [In6Hg3Bi2]
_chemical_formula_sum '[In18 Hg9 Bi6]'
_cell_volume [980.8311]
_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  0.0862  1.0
  In  In1  6  0.0000  0.0000  0.1838  1.0
  In  In2  6  0.0000  0.0000  0.3619  1.0
  Hg  Hg3  6  0.0000  0.0000  0.2763  1.0
  Hg  Hg4  3  0.0000  0.0000  0.0000  1.0
  Bi  Bi5  6  0.0000  0.0000  0.4491  1.0
]