data_[In6Hg6Bi2]
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 [P6_3/m]
_cell_length_a [8.7837]
_cell_length_b [8.7837]
_cell_length_c [5.8677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [In3Hg3Bi]
_chemical_formula_sum '[In6 Hg6 Bi2]'
_cell_volume [392.0623]
_cell_formula_units_Z [2]
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  0.0943  0.4634  0.7500  1.0
  Hg  Hg1  6  0.0344  0.2282  0.2500  1.0
  Bi  Bi2  2  0.3333  0.6667  0.2500  1.0
]